(4-Chloro-phenyl)-propynoic acid methyl ester
TL;DR: (4-Chloro-phenyl)-propynoic acid methyl ester (CAS 7515-18-6) is a chemical compound with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)prop-2-ynoate
Also Known As: methyl 3-(4-chlorophenyl)propiolate, methyl 3-(4-chlorophenyl)prop-2-ynoate, 2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester, methyl p-chlorophenylpropiolate, methyl 3-(4-chlorophenyl)-2-propynoate
| Molecular Formula | C10H7ClO2 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.8645 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01346 |
| Heavy Atoms | 13 |
| Complexity | 356.7514 |
Chemical Identifiers
| CAS Number | 7515-18-6 |
|---|---|
| SMILES | COC(=O)C#CC1=CC=C(C=C1)Cl |
Product Overview
(4-Chloro-phenyl)-propynoic acid methyl ester (CAS 7515-18-6), with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol. IUPAC: methyl 3-(4-chlorophenyl)prop-2-ynoate.
Chemical Property Profile of (4-Chloro-phenyl)-propynoic acid methyl ester
Property Insights of (4-Chloro-phenyl)-propynoic acid methyl ester
The XLogP value of 1.8645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-phenyl)-propynoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chloro-phenyl)-propynoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-phenyl)-propynoic acid methyl ester has 0 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 (4-Chloro-phenyl)-propynoic acid methyl ester?
The CAS number of (4-Chloro-phenyl)-propynoic acid methyl ester is 7515-18-6.
What is the molecular formula of (4-Chloro-phenyl)-propynoic acid methyl ester?
The molecular formula of (4-Chloro-phenyl)-propynoic acid methyl ester is C10H7ClO2.
What is the molecular weight of (4-Chloro-phenyl)-propynoic acid methyl ester?
The molecular weight of (4-Chloro-phenyl)-propynoic acid methyl ester is 194.01 g/mol.
Where can I buy (4-Chloro-phenyl)-propynoic acid methyl ester?
You can request a quote for (4-Chloro-phenyl)-propynoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-phenyl)-propynoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-phenyl)-propynoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.