Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 13373-29-0) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, Ethyl I+/--cyano-4-hydroxy-3-methoxycinnamate, ETHYL 2-CYANO-3-(4-HYDROXY-3-METHOXY-PHENYL)PROP-2-ENOATE, Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylate, ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 13373-29-0 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C=C1)O)OC)C#N |
| InChIKey | WQWLESVDQFOXPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 13373-29-0), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 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 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 13373-29-0.
What is the molecular formula of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is C13H13NO4.
What is the molecular weight of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 247.08 g/mol.
Where can I buy Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.