Ethyl alpha-cyano-4-(dimethylamino)cinnamate
TL;DR: Ethyl alpha-cyano-4-(dimethylamino)cinnamate (CAS 14394-77-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
Also Known As: Ethyl 2-Cyano-3-[4-(dimethylamino)phenyl]acrylate, ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate, ethyl 4-dimethylaminobenzalcyanoacetate, Ethyl 2-cyano-4'-(dimethylamino)cinnamate, ethyl alpha-cyano-4-(dimethylamino)cinnamate
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 14394-77-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N |
| InChIKey | UWWFWHASAAPOLK-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-cyano-4-(dimethylamino)cinnamate (CAS 14394-77-5), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of Ethyl alpha-cyano-4-(dimethylamino)cinnamate
Property Insights of Ethyl alpha-cyano-4-(dimethylamino)cinnamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-cyano-4-(dimethylamino)cinnamate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl alpha-cyano-4-(dimethylamino)cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-cyano-4-(dimethylamino)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-(dimethylamino)cinnamate?
The CAS number of Ethyl alpha-cyano-4-(dimethylamino)cinnamate is 14394-77-5.
What is the molecular formula of Ethyl alpha-cyano-4-(dimethylamino)cinnamate?
The molecular formula of Ethyl alpha-cyano-4-(dimethylamino)cinnamate is C14H16N2O2.
What is the molecular weight of Ethyl alpha-cyano-4-(dimethylamino)cinnamate?
The molecular weight of Ethyl alpha-cyano-4-(dimethylamino)cinnamate is 244.12 g/mol.
Where can I buy Ethyl alpha-cyano-4-(dimethylamino)cinnamate?
You can request a quote for Ethyl alpha-cyano-4-(dimethylamino)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-(dimethylamino)cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-cyano-4-(dimethylamino)cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.