Ethyl alpha-cyano-4-methylcinnamate
TL;DR: Ethyl alpha-cyano-4-methylcinnamate (CAS 29708-09-6) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-methylphenyl)prop-2-enoate
Also Known As: Ethyl 2-cyano-3-(4-methylphenyl)acrylate, ethyl 2-cyano-3-p-tolylacrylate, ethyl alpha-cyano-4-methylcinnamate, Ethyl 2-cyano-3-(p-tolyl)acrylate, (E)-ethyl 2-cyano-3-(p-tolyl)acrylate
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 29708-09-6 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)C)C#N |
| InChIKey | KKIZDEFOEGGSKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl alpha-cyano-4-methylcinnamate (CAS 29708-09-6), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: ethyl 2-cyano-3-(4-methylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-4-methylcinnamate
Property Insights of Ethyl alpha-cyano-4-methylcinnamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-cyano-4-methylcinnamate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl alpha-cyano-4-methylcinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-cyano-4-methylcinnamate has 0 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 alpha-cyano-4-methylcinnamate?
The CAS number of Ethyl alpha-cyano-4-methylcinnamate is 29708-09-6.
What is the molecular formula of Ethyl alpha-cyano-4-methylcinnamate?
The molecular formula of Ethyl alpha-cyano-4-methylcinnamate is C13H13NO2.
What is the molecular weight of Ethyl alpha-cyano-4-methylcinnamate?
The molecular weight of Ethyl alpha-cyano-4-methylcinnamate is 215.09 g/mol.
Where can I buy Ethyl alpha-cyano-4-methylcinnamate?
You can request a quote for Ethyl alpha-cyano-4-methylcinnamate 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-methylcinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-4-methylcinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.