2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester (CAS 63757-30-2) 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-(4-chlorophenyl)prop-2-enoate
Also Known As: Ethyl 4-chlorocinnamate, Ethyl p-chlorocinnamate, ethyl-p-chlorocinnamate, Ethyl4-chlorocinnamate, Ethyl 4-chloro-cinnamate
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.6 |
| 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 | 205.0 |
Chemical Identifiers
| CAS Number | 63757-30-2 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)Cl |
| InChIKey | MHZFMMSRIDAQIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester (CAS 63757-30-2), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester
The XLogP value of 3.6 indicates that 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl 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 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester is 63757-30-2.
What is the molecular formula of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester is C11H11ClO2.
What is the molecular weight of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester is 210.04 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(4-chlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.