![CAS 7111-77-5 2′-Methyl-[1,1′-Biphenyl]-2-Carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7111-77-5.gif)
CAS RN: 7111-77-5
2′-Methyl-[1,1′-Biphenyl]-2-Carboxylic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7111-77-5
- Purity/Analytical Methods: >99.0%
7111-77-5 / 2-(2-methylphenyl)benzoic acid
Basic Information
CAS
7111-77-5
Multi CAS
No
Molecular Formula
C14H12O2
Molecular Weight
212.240000
Exact Mass
212.083730
InChI
InChI=1S/C14H12O2/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
GOAWMKUDICJPHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.57
TPSA
37.3
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
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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