4-Cyanophenylacetic acid
TL;DR: 4-Cyanophenylacetic acid (CAS 5462-71-5) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyanophenyl)acetic acid
Also Known As: 4-Cyanophenylacetic acid, 2-(4-cyanophenyl)acetic acid, Benzeneacetic acid, 4-cyano-, (4-Cyanophenyl)acetic acid, (4-Cyano-phenyl)-acetic acid
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5462-71-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)C#N |
| InChIKey | WEBXRQONNWEETE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanophenylacetic acid (CAS 5462-71-5), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-(4-cyanophenyl)acetic acid.
Chemical Property Profile of 4-Cyanophenylacetic acid
Property Insights of 4-Cyanophenylacetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenylacetic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyanophenylacetic acid. Following Lipinski's Rule of Five, 4-Cyanophenylacetic 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 4-Cyanophenylacetic acid?
The CAS number of 4-Cyanophenylacetic acid is 5462-71-5.
What is the molecular formula of 4-Cyanophenylacetic acid?
The molecular formula of 4-Cyanophenylacetic acid is C9H7NO2.
What is the molecular weight of 4-Cyanophenylacetic acid?
The molecular weight of 4-Cyanophenylacetic acid is 161.05 g/mol.
Where can I buy 4-Cyanophenylacetic acid?
You can request a quote for 4-Cyanophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.