(E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate
TL;DR: (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate (CAS 80983-36-4) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate, Ethyl-alpha-cyano-4-hydroxycinnamate, Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate, ethylcyanohydroxyphenylacrylate, ethyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 80983-36-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)O)/C#N |
| InChIKey | HRBVVSOFSLPAOY-JXMROGBWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate (CAS 80983-36-4), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate
Property Insights of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate. Following Lipinski's Rule of Five, (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate has 1 hydrogen bond donor(s) and 4 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 (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate?
The CAS number of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate is 80983-36-4.
What is the molecular formula of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate?
The molecular formula of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate is C12H11NO3.
What is the molecular weight of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate?
The molecular weight of (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate is 217.07 g/mol.
Where can I buy (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate?
You can request a quote for (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.