2-(4-氯苯基)-2-丙炔酸
TL;DR: 2-(4-氯苯基)-2-丙炔酸 (CAS 3240-10-6) 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.
2-(4-氯苯基)-2-丙炔酸
3-(4-chlorophenyl)prop-2-ynoic acid
Also Known As: 3-(4-CHLOROPHENYL)PROPIOLIC ACID, 4-Chlorophenylpropiolic acid, 3-(4-chlorophenyl)prop-2-ynoic acid, Diphenylcarbamyl chloride, p-Chlorophenylpropiolic 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 | 227.0 |
| Melting Point | 192-193 °C |
| Solubility | INSOL IN WATER; SOL IN HOT BENZENE, ACETIC ACID |
Chemical Identifiers
| CAS Number | 3240-10-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC(=O)O)Cl |
| InChIKey | HXUUKDJAFBRYMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-氯苯基)-2-丙炔酸 (CAS 3240-10-6), with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol. IUPAC: 3-(4-chlorophenyl)prop-2-ynoic acid.
Chemical Property Profile of 2-(4-氯苯基)-2-丙炔酸
Property Insights of 2-(4-氯苯基)-2-丙炔酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-氯苯基)-2-丙炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-氯苯基)-2-丙炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-氯苯基)-2-丙炔酸 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-(4-氯苯基)-2-丙炔酸?
The CAS number of 2-(4-氯苯基)-2-丙炔酸 is 3240-10-6.
What is the molecular formula of 2-(4-氯苯基)-2-丙炔酸?
The molecular formula of 2-(4-氯苯基)-2-丙炔酸 is C9H5ClO2.
What is the molecular weight of 2-(4-氯苯基)-2-丙炔酸?
The molecular weight of 2-(4-氯苯基)-2-丙炔酸 is 180.00 g/mol.
Where can I buy 2-(4-氯苯基)-2-丙炔酸?
You can request a quote for 2-(4-氯苯基)-2-丙炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苯基)-2-丙炔酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苯基)-2-丙炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.