Ethyl coumarate
TL;DR: Ethyl coumarate (CAS 2979-06-8) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: p-Coumaric acid ethyl ester, Ethyl coumarate, (E)-Ethyl 3-(4-hydroxyphenyl)acrylate, Ethyl p-Coumarate, Ethyl 4-coumarate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 2979-06-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)O |
| InChIKey | ZOQCEVXVQCPESC-VMPITWQZSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl coumarate (CAS 2979-06-8), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl coumarate
Property Insights of Ethyl coumarate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl coumarate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl coumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl coumarate has 1 hydrogen bond donor(s) and 3 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 coumarate?
The CAS number of Ethyl coumarate is 2979-06-8.
What is the molecular formula of Ethyl coumarate?
The molecular formula of Ethyl coumarate is C11H12O3.
What is the molecular weight of Ethyl coumarate?
The molecular weight of Ethyl coumarate is 192.08 g/mol.
Where can I buy Ethyl coumarate?
You can request a quote for Ethyl coumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl coumarate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl coumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.