3-(2-Chlorophenyl)acrylic acid
TL;DR: 3-(2-Chlorophenyl)acrylic acid (CAS 3752-25-8) 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.
3-(2-chlorophenyl)prop-2-enoic acid
Also Known As: 2-Chlorocinnamic acid, o-Chlorocinnamic acid, 3-(2-chlorophenyl)acrylic acid, 2-chloro-cinnamic acid, (E)-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 | 3752-25-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC(=O)O)Cl |
| InChIKey | KJRRTHHNKJBVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chlorophenyl)acrylic acid (CAS 3752-25-8), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 3-(2-chlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2-Chlorophenyl)acrylic acid
Property Insights of 3-(2-Chlorophenyl)acrylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-Chlorophenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)acrylic 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-(2-Chlorophenyl)acrylic acid?
The CAS number of 3-(2-Chlorophenyl)acrylic acid is 3752-25-8.
What is the molecular formula of 3-(2-Chlorophenyl)acrylic acid?
The molecular formula of 3-(2-Chlorophenyl)acrylic acid is C9H7ClO2.
What is the molecular weight of 3-(2-Chlorophenyl)acrylic acid?
The molecular weight of 3-(2-Chlorophenyl)acrylic acid is 182.01 g/mol.
Where can I buy 3-(2-Chlorophenyl)acrylic acid?
You can request a quote for 3-(2-Chlorophenyl)acrylic 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)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.