Ethyl alpha-cyano-4-methoxycinnamate
TL;DR: Ethyl alpha-cyano-4-methoxycinnamate (CAS 2286-29-5) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(4-methoxyphenyl)acrylate, Digitoxigenin hemisuccinate, Ethyl alpha-cyano-4-methoxycinnamate, ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, ethyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 2286-29-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)OC)C#N |
| InChIKey | KJKGDEVERRGVFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl alpha-cyano-4-methoxycinnamate (CAS 2286-29-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-4-methoxycinnamate
Property Insights of Ethyl alpha-cyano-4-methoxycinnamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-cyano-4-methoxycinnamate. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl alpha-cyano-4-methoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-cyano-4-methoxycinnamate has 0 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 Ethyl alpha-cyano-4-methoxycinnamate?
The CAS number of Ethyl alpha-cyano-4-methoxycinnamate is 2286-29-5.
What is the molecular formula of Ethyl alpha-cyano-4-methoxycinnamate?
The molecular formula of Ethyl alpha-cyano-4-methoxycinnamate is C13H13NO3.
What is the molecular weight of Ethyl alpha-cyano-4-methoxycinnamate?
The molecular weight of Ethyl alpha-cyano-4-methoxycinnamate is 231.09 g/mol.
Where can I buy Ethyl alpha-cyano-4-methoxycinnamate?
You can request a quote for Ethyl alpha-cyano-4-methoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-cyano-4-methoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-4-methoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.