![CAS 15460-07-8 [1,1′-Biphenyl]-4-ol,2-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15460-07-8.gif)
CAS RN: 15460-07-8
[1,1′-Biphenyl]-4-ol,2-bromo-
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS15460-07-8
- Purity/Analytical Methods: >99.0%
15460-07-8 / 3-bromo-4-phenylphenol
Basic Information
CAS
15460-07-8
Multi CAS
No
Molecular Formula
C12H9BrO
Molecular Weight
249.100000
Exact Mass
247.983680
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)O)Br
InChI
InChI=1S/C12H9BrO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H
InChIKey
ILUQRRFVXAIYHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.24
TPSA
20.23
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
4.4
Consensus LogP
3.86
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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