Ethyl alpha-cyano-4-(diethylamino)cinnamate
TL;DR: Ethyl alpha-cyano-4-(diethylamino)cinnamate (CAS 62134-40-1) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
Also Known As: ETHYL ALPHA-CYANO-4-(DIETHYLAMINO)CINNAMATE, Ethyl-2-cyano-3-(4-diethylaminophenyl)acrylate, alpha-ethoxycarbonyl-4-diethylaminocinnamonitrile, Ethyl-2-cyano-3-[4-(diethylamino)phenyl]acrylate, ethyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 62134-40-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC |
| InChIKey | JFMVGZQLOXGKFR-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-cyano-4-(diethylamino)cinnamate (CAS 62134-40-1), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: ethyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-4-(diethylamino)cinnamate
Property Insights of Ethyl alpha-cyano-4-(diethylamino)cinnamate
The XLogP value of 3.3 indicates that Ethyl alpha-cyano-4-(diethylamino)cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl alpha-cyano-4-(diethylamino)cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-cyano-4-(diethylamino)cinnamate 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-(diethylamino)cinnamate?
The CAS number of Ethyl alpha-cyano-4-(diethylamino)cinnamate is 62134-40-1.
What is the molecular formula of Ethyl alpha-cyano-4-(diethylamino)cinnamate?
The molecular formula of Ethyl alpha-cyano-4-(diethylamino)cinnamate is C16H20N2O2.
What is the molecular weight of Ethyl alpha-cyano-4-(diethylamino)cinnamate?
The molecular weight of Ethyl alpha-cyano-4-(diethylamino)cinnamate is 272.15 g/mol.
Where can I buy Ethyl alpha-cyano-4-(diethylamino)cinnamate?
You can request a quote for Ethyl alpha-cyano-4-(diethylamino)cinnamate 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-(diethylamino)cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-4-(diethylamino)cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.