o-Phenylbenzoic acid
TL;DR: o-Phenylbenzoic acid (CAS 947-84-2) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylbenzoic acid
Also Known As: 2-Biphenylcarboxylic acid, 2-Phenylbenzoic acid, o-Phenylbenzoic acid, [1,1'-Biphenyl]-2-carboxylic acid, Biphenyl-2-carboxylic acid
| Molecular Formula | C13H10O2 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.06808 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 947-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O |
| InChIKey | ILYSAKHOYBPSPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Phenylbenzoic acid (CAS 947-84-2), with molecular formula C13H10O2 and molecular weight 198.07 g/mol. IUPAC: 2-phenylbenzoic acid.
Chemical Property Profile of o-Phenylbenzoic acid
Property Insights of o-Phenylbenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Phenylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, o-Phenylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Phenylbenzoic acid has 1 hydrogen bond donor(s) and 2 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 o-Phenylbenzoic acid?
The CAS number of o-Phenylbenzoic acid is 947-84-2.
What is the molecular formula of o-Phenylbenzoic acid?
The molecular formula of o-Phenylbenzoic acid is C13H10O2.
What is the molecular weight of o-Phenylbenzoic acid?
The molecular weight of o-Phenylbenzoic acid is 198.07 g/mol.
Where can I buy o-Phenylbenzoic acid?
You can request a quote for o-Phenylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Phenylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for o-Phenylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.