Ethyl 3-(3-chlorophenyl)-2-propenoate
TL;DR: Ethyl 3-(3-chlorophenyl)-2-propenoate (CAS 2373-88-8) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-chlorophenyl)prop-2-enoate
Also Known As: ethyl 3-(3-chlorophenyl)prop-2-enoate, Ethyl 3-(3-chlorophenyl)-2-propenoate, Ethyl 3-(3-chlorophenyl)acrylate, 3-chlorobenzylideneacetic acid ethyl ester, 2-Propenoic acid, 3-(3-chlorophenyl)-, ethyl ester
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 2373-88-8 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=CC=C1)Cl |
| InChIKey | ROEZPXRDTJGAAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(3-chlorophenyl)-2-propenoate (CAS 2373-88-8), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: ethyl 3-(3-chlorophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(3-chlorophenyl)-2-propenoate
Property Insights of Ethyl 3-(3-chlorophenyl)-2-propenoate
The XLogP value of 3.0 indicates that Ethyl 3-(3-chlorophenyl)-2-propenoate 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)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3-chlorophenyl)-2-propenoate 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)-2-propenoate?
The CAS number of Ethyl 3-(3-chlorophenyl)-2-propenoate is 2373-88-8.
What is the molecular formula of Ethyl 3-(3-chlorophenyl)-2-propenoate?
The molecular formula of Ethyl 3-(3-chlorophenyl)-2-propenoate is C11H11ClO2.
What is the molecular weight of Ethyl 3-(3-chlorophenyl)-2-propenoate?
The molecular weight of Ethyl 3-(3-chlorophenyl)-2-propenoate is 210.04 g/mol.
Where can I buy Ethyl 3-(3-chlorophenyl)-2-propenoate?
You can request a quote for Ethyl 3-(3-chlorophenyl)-2-propenoate 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)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-chlorophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.