3-(4-Chlorophenyl)-2-oxopropanoic acid
TL;DR: 3-(4-Chlorophenyl)-2-oxopropanoic acid (CAS 3637-10-3) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-oxopropanoic acid
Also Known As: 3-(4-Chlorophenyl)-2-oxopropanoic acid, p-Chlorophenylpyruvic acid, p-Chlorphenylbrenztraubensaure, (4-Chlorophenyl)pyruvic acid, 3-(p-chlorophenyl)pyruvic acid
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.00838 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 3637-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C(=O)O)Cl |
| InChIKey | VRYUGTMBOLOQTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Chlorophenyl)-2-oxopropanoic acid (CAS 3637-10-3), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: 3-(4-chlorophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)-2-oxopropanoic acid
Property Insights of 3-(4-Chlorophenyl)-2-oxopropanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-2-oxopropanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Chlorophenyl)-2-oxopropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-2-oxopropanoic 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-(4-Chlorophenyl)-2-oxopropanoic acid?
The CAS number of 3-(4-Chlorophenyl)-2-oxopropanoic acid is 3637-10-3.
What is the molecular formula of 3-(4-Chlorophenyl)-2-oxopropanoic acid?
The molecular formula of 3-(4-Chlorophenyl)-2-oxopropanoic acid is C9H7ClO3.
What is the molecular weight of 3-(4-Chlorophenyl)-2-oxopropanoic acid?
The molecular weight of 3-(4-Chlorophenyl)-2-oxopropanoic acid is 198.01 g/mol.
Where can I buy 3-(4-Chlorophenyl)-2-oxopropanoic acid?
You can request a quote for 3-(4-Chlorophenyl)-2-oxopropanoic 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-Chlorophenyl)-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.