Alternatived Products of [ 185346-09-2 ]
Product Details of [ 185346-09-2 ]
CAS No. : 185346-09-2
MDL No. : MFCD05861599
Formula :
C25 H19 N3 O2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : BZSJUFJXCHHRHW-LUKWVAJMSA-N
M.W :
393.44
Pubchem ID : 10644286
Synonyms :
Calculated chemistry of [ 185346-09-2 ]
Physicochemical Properties
Num. heavy atoms :
30
Num. arom. heavy atoms :
18
Fraction Csp3 :
0.24
Num. rotatable bonds :
2
Num. H-bond acceptors :
5.0
Num. H-bond donors :
0.0
Molar Refractivity :
120.04
TPSA :
56.07 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
Yes
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-5.73 cm/s
Lipophilicity
Log Po/w (iLOGP) :
3.38
Log Po/w (XLOGP3) :
4.18
Log Po/w (WLOGP) :
2.56
Log Po/w (MLOGP) :
3.76
Log Po/w (SILICOS-IT) :
5.42
Consensus Log Po/w :
3.86
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-5.22
Solubility :
0.00235 mg/ml ; 0.00000596 mol/l
Class :
Moderately soluble
Log S (Ali) :
-5.07
Solubility :
0.00338 mg/ml ; 0.00000859 mol/l
Class :
Moderately soluble
Log S (SILICOS-IT) :
-7.82
Solubility :
0.00000602 mg/ml ; 0.0000000153 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
4.76
Safety of [ 185346-09-2 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P280-P305+P351+P338
UN#: N/A
Hazard Statements: H302
Packing Group: N/A
GHS Pictogram:
Application In Synthesis of [ 185346-09-2 ]
* 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 [ 185346-09-2 ]
Downstream synthetic route of [ 185346-09-2 ]
1
Pyridine-2,6-dicarboxylic acid bis-[((1S,2R)-2-hydroxy-indan-1-yl)-amide]
[ No CAS ]
[ 185346-09-2 ]
2
[ 55309-58-5 ]
[ 7480-35-5 ]
[ 185346-09-2 ]
3
(S)-2-amino-indan-1-ol
[ No CAS ]
[ 3739-94-4 ]
[ 185346-09-2 ]
4
[ 2893-33-6 ]
[ 185346-09-2 ]
5
[ 3739-94-4 ]
[ 185346-09-2 ]
6
[ 7480-35-5 ]
[ 185346-09-2 ]
7
[ 21797-13-7 ]
[ 185346-09-2 ]
([3aS-[2(3'aR*,8'aS*),3a,8a]]-2,2'-(2,6-pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole])(acetonitrile)palladium(II) bis(tetrafluoroborate) hemihydrate
[ No CAS ]
8
[ 54010-75-2 ]
[ 185346-09-2 ]
bis([3aS-[2(3'aR*,8'aS*),3a,8a]]-2,2'-(2,6-pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole])zinc(II) ditriflate
[ No CAS ]
9
[ 185346-09-2 ]
[ 7646-85-7 ]
[3aS-[2(3'aR*,8'aS*),3a,8a]]-2,2'-(2,6-pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]dichlorozinc(II)
[ No CAS ]
10
[ 2893-33-6 ]
[ 7480-35-5 ]
[ 185346-09-2 ]
11
[ 67-56-1 ]
gadolinium(III) nitrate hexahydrate
[ No CAS ]
[{(C4 H9 )4 N}3 W(CN)8 ]
[ No CAS ]
[ 68-12-2 ]
[ 75-05-8 ]
[ 185346-09-2 ]
[GdIII (2,6-bis[(3aS,8aR)-(-)-8H-indeno[1,2-d]oxazolin-2-yl]pyridine)(dmf)4 ][WV (CN)8 ]n *5MeCN*4MeOH
[ No CAS ]
12
[ 67-56-1 ]
neodymium(III) nitrate hexahydrate
[ No CAS ]
[{(C4 H9 )4 N}3 W(CN)8 ]
[ No CAS ]
[ 68-12-2 ]
[ 75-05-8 ]
[ 185346-09-2 ]
[NdI I I (2,6-bis[(3aS,8aR)-(-)-8H-indeno[1,2-d]oxazolin-2-yl]pyridine)(dmf)4 ][WV (CN)8 ]n *5MeCN*4MeOH
[ No CAS ]
13
[ 2923-28-6 ]
[ 118949-61-4 ]
[ 185346-09-2 ]
C42 H42 Ag2 N6 O4 (2+) *2CF3 O3 S(1-)
[ No CAS ]
14
[ 2923-28-6 ]
[ 185346-09-2 ]
C75 H57 Ag2 N9 O6 (2+) *2CF3 O3 S(1-)
[ No CAS ]
15
[ 2923-28-6 ]
[ 185346-09-2 ]
C50 H38 Ag2 N6 O4 (2+) *2CF3 O3 S(1-)
[ No CAS ]
16
[ 26042-63-7 ]
[ 185346-09-2 ]
C75 H57 Ag2 N9 O6 (2+) *2F6 P(1-)
[ No CAS ]
17
silver hexafluoroantimonate
[ No CAS ]
[ 185346-09-2 ]
C75 H57 Ag2 N9 O6 (2+) *2F6 Sb(1-)
[ No CAS ]
18
[ 109-63-7 ]
silver fluoride
[ No CAS ]
[ 185346-09-2 ]
C25 H19 N3 O2 *Ag(1+) *BF4 (1-)
[ No CAS ]