2-Chlorocinnamic acid
TL;DR: 2-Chlorocinnamic acid (CAS 95061-83-9) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)prop-2-enoic acid
Also Known As: 2-Chlorocinnamic acid, o-Chlorocinnamic acid, (E)-3-(2-Chlorophenyl)acrylic acid, o-Chlorzimtsaure, 3-(2-chlorophenyl)acrylic acid
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 95061-83-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)O)Cl |
| InChIKey | KJRRTHHNKJBVBO-AATRIKPKSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorocinnamic acid (CAS 95061-83-9), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: (E)-3-(2-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Chlorocinnamic acid
Property Insights of 2-Chlorocinnamic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chlorocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorocinnamic 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 2-Chlorocinnamic acid?
The CAS number of 2-Chlorocinnamic acid is 95061-83-9.
What is the molecular formula of 2-Chlorocinnamic acid?
The molecular formula of 2-Chlorocinnamic acid is C9H7ClO2.
What is the molecular weight of 2-Chlorocinnamic acid?
The molecular weight of 2-Chlorocinnamic acid is 182.01 g/mol.
Where can I buy 2-Chlorocinnamic acid?
You can request a quote for 2-Chlorocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.