2-(2-Cyanophenyl)benzoic acid
TL;DR: 2-(2-Cyanophenyl)benzoic acid (CAS 637-47-8) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanophenyl)benzoic acid
Also Known As: 2-(2-cyanophenyl)benzoic acid, 2'-Cyano-[1,1'-biphenyl]-2-carboxylic acid, Valsartan Impurity 139, 2'-cyanobiphenyl-2-carboxylic acid, 2-carboxy-2'-cyanobiphenyl
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 637-47-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)O |
| InChIKey | SSRWCQMTMKFPAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Cyanophenyl)benzoic acid (CAS 637-47-8), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 2-(2-cyanophenyl)benzoic acid.
Chemical Property Profile of 2-(2-Cyanophenyl)benzoic acid
Property Insights of 2-(2-Cyanophenyl)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyanophenyl)benzoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanophenyl)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Cyanophenyl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Cyanophenyl)benzoic acid?
The CAS number of 2-(2-Cyanophenyl)benzoic acid is 637-47-8.
What is the molecular formula of 2-(2-Cyanophenyl)benzoic acid?
The molecular formula of 2-(2-Cyanophenyl)benzoic acid is C14H9NO2.
What is the molecular weight of 2-(2-Cyanophenyl)benzoic acid?
The molecular weight of 2-(2-Cyanophenyl)benzoic acid is 223.06 g/mol.
Where can I buy 2-(2-Cyanophenyl)benzoic acid?
You can request a quote for 2-(2-Cyanophenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyanophenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyanophenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.