2-chloroethyl cinnamate
TL;DR: 2-chloroethyl cinnamate (CAS 946-84-9) 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.
2-chloroethyl 3-phenylprop-2-enoate
Also Known As: 2-chloroethyl cinnamate, 2-chloroethyl 3-phenylprop-2-enoate
| Molecular Formula | C11H11ClO2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.04475 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 946-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)OCCCl |
| InChIKey | GHJSRAZVKRJERL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloroethyl cinnamate (CAS 946-84-9), with molecular formula C11H11ClO2 and molecular weight 210.04 g/mol. IUPAC: 2-chloroethyl 3-phenylprop-2-enoate.
Chemical Property Profile of 2-chloroethyl cinnamate
Property Insights of 2-chloroethyl cinnamate
The XLogP value of 3.2 indicates that 2-chloroethyl cinnamate 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-chloroethyl cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloroethyl cinnamate 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-chloroethyl cinnamate?
The CAS number of 2-chloroethyl cinnamate is 946-84-9.
What is the molecular formula of 2-chloroethyl cinnamate?
The molecular formula of 2-chloroethyl cinnamate is C11H11ClO2.
What is the molecular weight of 2-chloroethyl cinnamate?
The molecular weight of 2-chloroethyl cinnamate is 210.04 g/mol.
Where can I buy 2-chloroethyl cinnamate?
You can request a quote for 2-chloroethyl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloroethyl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloroethyl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.