Ethyl 3-(3-chlorophenyl)prop-2-ynoate
TL;DR: Ethyl 3-(3-chlorophenyl)prop-2-ynoate (CAS 58686-68-3) is a chemical compound with molecular formula C11H9ClO2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-chlorophenyl)prop-2-ynoate
Also Known As: ethyl 3-(3-chlorophenyl)prop-2-ynoate, ethyl 3-chlorophenylpropiolate, Ethyl 3-(3-chlorophenyl)propiolate, (3-CHLORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER, Ethyl3-(3-chlorophenyl)propiolate
| Molecular Formula | C11H9ClO2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.02911 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 58686-68-3 |
|---|---|
| SMILES | CCOC(=O)C#CC1=CC(=CC=C1)Cl |
| InChIKey | OYXZPRMCXGEXCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(3-chlorophenyl)prop-2-ynoate (CAS 58686-68-3), with molecular formula C11H9ClO2 and molecular weight 208.03 g/mol. IUPAC: ethyl 3-(3-chlorophenyl)prop-2-ynoate.
Chemical Property Profile of Ethyl 3-(3-chlorophenyl)prop-2-ynoate
Property Insights of Ethyl 3-(3-chlorophenyl)prop-2-ynoate
The XLogP value of 3.4 indicates that Ethyl 3-(3-chlorophenyl)prop-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(3-chlorophenyl)prop-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3-chlorophenyl)prop-2-ynoate 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 Ethyl 3-(3-chlorophenyl)prop-2-ynoate?
The CAS number of Ethyl 3-(3-chlorophenyl)prop-2-ynoate is 58686-68-3.
What is the molecular formula of Ethyl 3-(3-chlorophenyl)prop-2-ynoate?
The molecular formula of Ethyl 3-(3-chlorophenyl)prop-2-ynoate is C11H9ClO2.
What is the molecular weight of Ethyl 3-(3-chlorophenyl)prop-2-ynoate?
The molecular weight of Ethyl 3-(3-chlorophenyl)prop-2-ynoate is 208.03 g/mol.
Where can I buy Ethyl 3-(3-chlorophenyl)prop-2-ynoate?
You can request a quote for Ethyl 3-(3-chlorophenyl)prop-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3-chlorophenyl)prop-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-chlorophenyl)prop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.