3-(4-Cyanophenyl)-propionic acid
TL;DR: 3-(4-Cyanophenyl)-propionic acid (CAS 42287-94-5) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-cyanophenyl)propanoic acid
Also Known As: 3-(4-cyanophenyl)propanoic Acid, 3-(4-Cyano-phenyl)-propionic acid, 3-(4-cyanophenyl)propionic acid, 4-Cyanohydrocinnamic acid, 3-(4-cyanophenyl)-propionic acid
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.57548 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 334.93753 |
Chemical Identifiers
| CAS Number | 42287-94-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)O)C#N |
Product Overview
3-(4-Cyanophenyl)-propionic acid (CAS 42287-94-5), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3-(4-cyanophenyl)propanoic acid.
Chemical Property Profile of 3-(4-Cyanophenyl)-propionic acid
Property Insights of 3-(4-Cyanophenyl)-propionic acid
The XLogP value of 1.57548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Cyanophenyl)-propionic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Cyanophenyl)-propionic acid. Following Lipinski's Rule of Five, 3-(4-Cyanophenyl)-propionic 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 3-(4-Cyanophenyl)-propionic acid?
The CAS number of 3-(4-Cyanophenyl)-propionic acid is 42287-94-5.
What is the molecular formula of 3-(4-Cyanophenyl)-propionic acid?
The molecular formula of 3-(4-Cyanophenyl)-propionic acid is C10H9NO2.
What is the molecular weight of 3-(4-Cyanophenyl)-propionic acid?
The molecular weight of 3-(4-Cyanophenyl)-propionic acid is 175.06 g/mol.
Where can I buy 3-(4-Cyanophenyl)-propionic acid?
You can request a quote for 3-(4-Cyanophenyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Cyanophenyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Cyanophenyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.