![CAS 77897-02-0 2′-METHYL[1,1′-BIPHENYL]-2-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7117343.gif)
CAS RN: 77897-02-0
2′-METHYL[1,1′-BIPHENYL]-2-OL
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS77897-02-0
- Purity/Analytical Methods: >99.0%
77897-02-0 / 2-(2-methylphenyl)phenol
Basic Information
CAS
77897-02-0
Multi CAS
No
Molecular Formula
C13H12O
Molecular Weight
184.230000
Exact Mass
184.088815
InChI
InChI=1S/C13H12O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-9,14H,1H3
InChIKey
APNFMEVVIUSJSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.28
TPSA
20.23
LogP / Solubility
WLOGP
3.37
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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