3-Benzylbenzoic acid
TL;DR: 3-Benzylbenzoic acid (CAS 620-54-2) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylbenzoic acid
Also Known As: 3-benzylbenzoic Acid, 3-benzylbenzoicAcid, 3-Benzyl-benzoic Acid, Benzoic acid, 3-(phenylmethyl)-, 3-(phenylmethyl)benzoic acid
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.9756 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 489.09836 |
Chemical Identifiers
| CAS Number | 620-54-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)C(=O)O |
Product Overview
3-Benzylbenzoic acid (CAS 620-54-2), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: 3-benzylbenzoic acid.
Chemical Property Profile of 3-Benzylbenzoic acid
Property Insights of 3-Benzylbenzoic acid
The XLogP value of 2.9756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Benzylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylbenzoic acid has 1 hydrogen bond donor(s) and 1 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 3-Benzylbenzoic acid?
The CAS number of 3-Benzylbenzoic acid is 620-54-2.
What is the molecular formula of 3-Benzylbenzoic acid?
The molecular formula of 3-Benzylbenzoic acid is C14H12O2.
What is the molecular weight of 3-Benzylbenzoic acid?
The molecular weight of 3-Benzylbenzoic acid is 212.08 g/mol.
Where can I buy 3-Benzylbenzoic acid?
You can request a quote for 3-Benzylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.