3-(2-Chlorophenyl)-2-cyanopropionic acid
TL;DR: 3-(2-Chlorophenyl)-2-cyanopropionic acid (CAS 14696-30-1) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-2-cyanopropanoic acid
Also Known As: 3-(2-chlorophenyl)-2-cyanopropanoic acid, 3-(2-CHLOROPHENYL)-2-CYANOPROPIONIC ACID, 2-(o-chlorobenzyl)cyanoacetic acid, o-Chlorobenzylcyanoacetic acid, Benzenepropanoic acid, 2-chloro-alpha-cyano-
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 14696-30-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C#N)C(=O)O)Cl |
| InChIKey | KSLANAUEYUSFCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chlorophenyl)-2-cyanopropionic acid (CAS 14696-30-1), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 3-(2-chlorophenyl)-2-cyanopropanoic acid.
Chemical Property Profile of 3-(2-Chlorophenyl)-2-cyanopropionic acid
Property Insights of 3-(2-Chlorophenyl)-2-cyanopropionic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-2-cyanopropionic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorophenyl)-2-cyanopropionic acid. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-2-cyanopropionic 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 3-(2-Chlorophenyl)-2-cyanopropionic acid?
The CAS number of 3-(2-Chlorophenyl)-2-cyanopropionic acid is 14696-30-1.
What is the molecular formula of 3-(2-Chlorophenyl)-2-cyanopropionic acid?
The molecular formula of 3-(2-Chlorophenyl)-2-cyanopropionic acid is C10H8ClNO2.
What is the molecular weight of 3-(2-Chlorophenyl)-2-cyanopropionic acid?
The molecular weight of 3-(2-Chlorophenyl)-2-cyanopropionic acid is 209.02 g/mol.
Where can I buy 3-(2-Chlorophenyl)-2-cyanopropionic acid?
You can request a quote for 3-(2-Chlorophenyl)-2-cyanopropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorophenyl)-2-cyanopropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-2-cyanopropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.