3-(2-Chlorophenyl)-2-propynoic acid
TL;DR: 3-(2-Chlorophenyl)-2-propynoic acid (CAS 24654-08-8) is a chemical compound with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)prop-2-ynoic acid
Also Known As: 3-(2-chlorophenyl)prop-2-ynoic acid, o-Chlorophenylpropiolic acid, 2-Chlorophenylpropiolic acid, Picoperine tripalmitate, 3-(2-CHLOROPHENYL)-2-PROPYNOIC ACID
| Molecular Formula | C9H5ClO2 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.9978 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
| Melting Point | 132.7-133.8 °C |
| Solubility | INSOL IN WATER; SOL IN HOT BENZENE, ACETIC ACID |
Chemical Identifiers
| CAS Number | 24654-08-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#CC(=O)O)Cl |
| InChIKey | GDEUUQMXXWFQTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chlorophenyl)-2-propynoic acid (CAS 24654-08-8), with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol. IUPAC: 3-(2-chlorophenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(2-Chlorophenyl)-2-propynoic acid
Property Insights of 3-(2-Chlorophenyl)-2-propynoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-2-propynoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-Chlorophenyl)-2-propynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-2-propynoic 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)-2-propynoic acid?
The CAS number of 3-(2-Chlorophenyl)-2-propynoic acid is 24654-08-8.
What is the molecular formula of 3-(2-Chlorophenyl)-2-propynoic acid?
The molecular formula of 3-(2-Chlorophenyl)-2-propynoic acid is C9H5ClO2.
What is the molecular weight of 3-(2-Chlorophenyl)-2-propynoic acid?
The molecular weight of 3-(2-Chlorophenyl)-2-propynoic acid is 180.00 g/mol.
Where can I buy 3-(2-Chlorophenyl)-2-propynoic acid?
You can request a quote for 3-(2-Chlorophenyl)-2-propynoic 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-propynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-2-propynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.