Alternatived Products of [ 37470-58-9 ]
Product Details of [ 37470-58-9 ]
CAS No. : 37470-58-9
MDL No. : MFCD06204654
Formula :
C9 H9 BrO3
Boiling Point :
-
Linear Structure Formula : -
InChI Key : CMXRBHNFKLKRFS-UHFFFAOYSA-N
M.W :
245.07
Pubchem ID : 4778964
Synonyms :
Calculated chemistry of [ 37470-58-9 ]
Physicochemical Properties
Num. heavy atoms :
13
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.22
Num. rotatable bonds :
3
Num. H-bond acceptors :
3.0
Num. H-bond donors :
1.0
Molar Refractivity :
52.25
TPSA :
46.53 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-5.84 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.34
Log Po/w (XLOGP3) :
2.75
Log Po/w (WLOGP) :
2.33
Log Po/w (MLOGP) :
2.36
Log Po/w (SILICOS-IT) :
2.24
Consensus Log Po/w :
2.4
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-3.24
Solubility :
0.143 mg/ml ; 0.000581 mol/l
Class :
Soluble
Log S (Ali) :
-3.38
Solubility :
0.102 mg/ml ; 0.000415 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-3.16
Solubility :
0.169 mg/ml ; 0.000689 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.66
Application In Synthesis of [ 37470-58-9 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Upstream synthesis route of [ 37470-58-9 ]
Downstream synthetic route of [ 37470-58-9 ]
1
[ 888731-49-5 ]
[ 64-17-5 ]
[ 37470-58-9 ]
Yield Reaction Conditions Operation in experiment
100%
for 1.5 h; Heating / reflux
Step 2. The compound obtained above was dissolved in EtOH, the mixture was heated for 1.5 hr and the solvent was evaporated to yield ethyl 3-bromo-4- hydroxybenzoate (3.24 g, 100percent). 1 H-NMR (CDCl3 ) δ (ppm) 8.17 (s, IH), 7.95 (d, 1 H), 7.68 (d, IH), 4.29 (q, 3H), 1.32 (t, 2H).
Reference:
[1] Patent: WO2007/75896, 2007, A2, . Location in patent: Page/Page column 124
1
[ 542-69-8 ]
[ 37470-58-9 ]
3-bromo-4-butoxy-benzoic acid ethyl ester
[ No CAS ]
2
[ 37470-58-9 ]
[ 4584-46-7 ]
[ 92104-99-9 ]
3
[ 37470-58-9 ]
[ 251477-25-5 ]
4
[ 37470-58-9 ]
[ 251477-58-4 ]
5
[ 37470-58-9 ]
[ 251477-31-3 ]
6
[ 37470-58-9 ]
[ 251477-81-3 ]
7
[ 37470-58-9 ]
[ 251478-78-1 ]
8
[ 37470-58-9 ]
[ 251477-80-2 ]
9
[ 37470-58-9 ]
[ 1026817-67-3 ]
10
[ 37470-58-9 ]
[ 251477-44-8 ]
11
[ 37470-58-9 ]
[ 251477-52-8 ]
12
[ 37470-58-9 ]
[ 1026465-48-4 ]
13
[ 37470-58-9 ]
[ 251477-27-7 ]
14
[ 37470-58-9 ]
[ 251477-78-8 ]
15
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid ethyl ester
[ No CAS ]
16
[ 37470-58-9 ]
[ 251477-79-9 ]
17
[ 37470-58-9 ]
3,3''-dichloro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
18
[ 37470-58-9 ]
3''-chloro-2'-(2-hydroxy-ethoxy)-4-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
19
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
20
[ 37470-58-9 ]
[ 1026007-71-5 ]
21
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
22
[ 37470-58-9 ]
3-chloro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
23
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
24
[ 37470-58-9 ]
[3''-chloro-4-methoxy-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
25
[ 37470-58-9 ]
[ 251477-36-8 ]
26
[ 37470-58-9 ]
[2-fluoro-4''-methoxy-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
27
[ 37470-58-9 ]
3''-chloro-2-fluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
28
[ 37470-58-9 ]
[ 251477-77-7 ]
29
[ 37470-58-9 ]
[4,4''-dimethoxy-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
30
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
31
[ 37470-58-9 ]
[3''-chloro-2-fluoro-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
32
[ 37470-58-9 ]
[3,3''-dichloro-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
33
[ 37470-58-9 ]
[4,4''-dimethoxy-5'-(3-phenyl-propylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
34
[ 37470-58-9 ]
3,3''-dichloro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
35
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
36
[ 37470-58-9 ]
[2,2''-difluoro-5'-(2-pyridin-4-yl-ethylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
37
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
38
[ 37470-58-9 ]
[3,3"-Dichloro-5'-(3-phenyl-propylcarbamoyl)-[1,1';3'1"]terphenyl-2'-yloxy]acetic acid
[ No CAS ]
39
[ 37470-58-9 ]
[3''-chloro-4-methoxy-5'-(3-phenyl-propylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
40
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-3,3''-dichloro-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
41
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
42
[ 37470-58-9 ]
3''-chloro-2-fluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
43
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
44
[ 37470-58-9 ]
3''-chloro-2'-(2-hydroxy-ethoxy)-4-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
45
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
46
[ 37470-58-9 ]
3,3''-dichloro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
47
[ 37470-58-9 ]
3''-chloro-2-fluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
48
[ 37470-58-9 ]
3,3''-dichloro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
49
[ 37470-58-9 ]
[2,2''-difluoro-5'-(3-phenyl-propylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
50
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (4-phenyl-butyl)-amide
[ No CAS ]
51
[ 37470-58-9 ]
3''-chloro-2'-(2-hydroxy-ethoxy)-4-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
52
[ 37470-58-9 ]
[3''-chloro-2-fluoro-5'-(3-phenyl-propylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
53
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
54
[ 37470-58-9 ]
[2-Fluoro-4"-methoxy-5'-(3-phenyl-propylcarbamoyl)-[1,1';3'1"]-terphenyl-2'-yloxy]acetic acid
[ No CAS ]
55
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid [2-(4-bromo-phenyl)-ethyl]-amide
[ No CAS ]
56
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-3''-chloro-4-methoxy-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
57
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-4,4''-dimethoxy-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
58
[ 37470-58-9 ]
[4,4''-dimethoxy-5'-(4-phenyl-butylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
59
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-2-fluoro-4''-methoxy-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
60
[ 37470-58-9 ]
2-chloro-2'-(2-hydroxy-ethoxy)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
61
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4''-methoxy-3-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
62
[ 37470-58-9 ]
3''-chloro-2'-(2-hydroxy-ethoxy)-4-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
63
[ 37470-58-9 ]
[3''-chloro-2-fluoro-5'-(4-phenyl-butylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
64
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
65
[ 37470-58-9 ]
[2,2''-difluoro-5'-(4-phenyl-butylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
66
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
67
[ 37470-58-9 ]
3''-chloro-2-fluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
68
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-3''-chloro-2-fluoro-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
69
[ 37470-58-9 ]
[3,3"-Dichloro-5'-(4-phenyl-butylcarbamoyl)-[1,1';3'1"]terphenyl-2'-yloxy]acetic acid
[ No CAS ]
70
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-cyclopentyl-propyl)-amide
[ No CAS ]
71
[ 37470-58-9 ]
[2-fluoro-4''-methoxy-5'-(4-phenyl-butylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
72
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
[ No CAS ]
73
[ 37470-58-9 ]
{5'-[2-(4-bromo-phenyl)-ethylcarbamoyl]-2,2''-difluoro-[1,1';3',1'']terphenyl-2'-yloxy}-acetic acid
[ No CAS ]
74
[ 37470-58-9 ]
[3''-chloro-4-methoxy-5'-(4-phenyl-butylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
75
[ 37470-58-9 ]
[3,3"-Dichloro-5'-(3-cyclopentyl-propylcarbamoyl)-[1,1';3'1"]terphenyl-2'-yloxy]acetic acid
[ No CAS ]
76
[ 37470-58-9 ]
[2-chloro-5'-(2-pyridin-4-yl-ethylcarbamoyl)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
77
[ 37470-58-9 ]
[4''-methoxy-5'-(2-pyridin-4-yl-ethylcarbamoyl)-3-trifluoromethyl-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
78
[ 37470-58-9 ]
2,2''-difluoro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid benzyl-phenethyl-amide
[ No CAS ]
79
[ 37470-58-9 ]
2-chloro-2'-(2-hydroxy-ethoxy)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
80
[ 37470-58-9 ]
3-chloro-2'-(2-hydroxy-ethoxy)-4''-methoxy-[1,1';3',1'']terphenyl-5'-carboxylic acid benzyl-phenethyl-amide
[ No CAS ]
81
[ 37470-58-9 ]
2'-(2-hydroxy-ethoxy)-4''-methoxy-3-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
82
[ 37470-58-9 ]
[5'-(3-cyclopentyl-propylcarbamoyl)-4,4''-dimethoxy-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]
83
[ 37470-58-9 ]
3,3''-dichloro-2'-(2-hydroxy-ethoxy)-[1,1';3',1'']terphenyl-5'-carboxylic acid (6-phenyl-hexyl)-amide
[ No CAS ]
84
[ 37470-58-9 ]
2-fluoro-2'-(2-hydroxy-ethoxy)-3''-trifluoromethyl-[1,1';3',1'']terphenyl-5'-carboxylic acid (3-phenyl-propyl)-amide
[ No CAS ]
85
[ 37470-58-9 ]
[3''-chloro-5'-(3-cyclopentyl-propylcarbamoyl)-4-methoxy-[1,1';3',1'']terphenyl-2'-yloxy]-acetic acid
[ No CAS ]