Home Cart Sign in  

[ CAS No. 63057-72-7 ] 1-(Benzyloxy)-4-bromo-2-methoxybenzene

Cat. No.: A118207
Chemical Structure| 63057-72-7
Chemical Structure| 63057-72-7
Structure of 63057-72-7 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 250mg $6.00 Inquiry Inquiry
97% 1g $18.00 Inquiry Inquiry
97% 5g $80.00 Inquiry Inquiry
97% 10g $159.00 Inquiry Inquiry
97% 25g $240.00 Inquiry Inquiry

Search after Editing

* Storage: Sealed in dry,Room Temperature

* Shipping: Normal

Quality Control of [ 63057-72-7 ]

Related Doc. of [ 63057-72-7 ]

Alternatived Products of [ 63057-72-7 ]
Product Citations

Product Details of [ 63057-72-7 ]

CAS No. :63057-72-7 MDL No. :MFCD00092521
Formula : C14H13BrO2 Boiling Point : -
Linear Structure Formula :- InChI Key :AEGJXXCGTFMRGY-UHFFFAOYSA-N
M.W : 293.16 Pubchem ID :3613128
Synonyms :

Calculated chemistry of [ 63057-72-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.61
TPSA : 18.46 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.99
Log Po/w (XLOGP3) : 4.05
Log Po/w (WLOGP) : 3.88
Log Po/w (MLOGP) : 3.6
Log Po/w (SILICOS-IT) : 4.07
Consensus Log Po/w : 3.72

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.47
Solubility : 0.00999 mg/ml ; 0.0000341 mol/l
Class : Moderately soluble
Log S (Ali) : -4.14
Solubility : 0.0212 mg/ml ; 0.0000722 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.03
Solubility : 0.000273 mg/ml ; 0.000000931 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.05

Safety of [ 63057-72-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 63057-72-7 ]

Aryls

Chemical Structure| 6793-92-6

[ 6793-92-6 ]

1-Bromo-4-(phenylmethoxy)benzene

Similarity: 0.93

Chemical Structure| 1646152-54-6

[ 1646152-54-6 ]

1-Bromo-2,5-dimethoxy-4-((4-methoxybenzyl)oxy)benzene

Similarity: 0.92

Chemical Structure| 53087-13-1

[ 53087-13-1 ]

1-(Benzyloxy)-3-bromobenzene

Similarity: 0.91

Chemical Structure| 871888-83-4

[ 871888-83-4 ]

4-Bromo-2-ethoxy-1-methylbenzene

Similarity: 0.88

Chemical Structure| 68155-69-1

[ 68155-69-1 ]

1-Bromo-4-ethoxy-2-methylbenzene

Similarity: 0.84

Bromides

Chemical Structure| 6793-92-6

[ 6793-92-6 ]

1-Bromo-4-(phenylmethoxy)benzene

Similarity: 0.93

Chemical Structure| 1646152-54-6

[ 1646152-54-6 ]

1-Bromo-2,5-dimethoxy-4-((4-methoxybenzyl)oxy)benzene

Similarity: 0.92

Chemical Structure| 53087-13-1

[ 53087-13-1 ]

1-(Benzyloxy)-3-bromobenzene

Similarity: 0.91

Chemical Structure| 871888-83-4

[ 871888-83-4 ]

4-Bromo-2-ethoxy-1-methylbenzene

Similarity: 0.88

Chemical Structure| 66826-78-6

[ 66826-78-6 ]

5-Bromo-2,3-dihydrobenzofuran

Similarity: 0.86

Ethers

Chemical Structure| 6793-92-6

[ 6793-92-6 ]

1-Bromo-4-(phenylmethoxy)benzene

Similarity: 0.93

Chemical Structure| 1646152-54-6

[ 1646152-54-6 ]

1-Bromo-2,5-dimethoxy-4-((4-methoxybenzyl)oxy)benzene

Similarity: 0.92

Chemical Structure| 53087-13-1

[ 53087-13-1 ]

1-(Benzyloxy)-3-bromobenzene

Similarity: 0.91

Chemical Structure| 871888-83-4

[ 871888-83-4 ]

4-Bromo-2-ethoxy-1-methylbenzene

Similarity: 0.88

Chemical Structure| 68155-69-1

[ 68155-69-1 ]

1-Bromo-4-ethoxy-2-methylbenzene

Similarity: 0.84

; ;