Ethyl 4-acetamido-alpha-cyanocinnamate
TL;DR: Ethyl 4-acetamido-alpha-cyanocinnamate (CAS 6629-53-4) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate
Also Known As: NCIOpen2_002861, ETHYL 4-ACETAMIDO-ALPHA-CYANOCINNAMATE, ethyl 3-(4-acetylaminophenyl)-2-cyanoacrylate, ethyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate, ethyl 3-(4-acetamidophenyl)-2-cyano-prop-2-enoate
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 6629-53-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C#N |
| InChIKey | CPLWLQOLZIZSLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-acetamido-alpha-cyanocinnamate (CAS 6629-53-4), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: ethyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 4-acetamido-alpha-cyanocinnamate
Property Insights of Ethyl 4-acetamido-alpha-cyanocinnamate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetamido-alpha-cyanocinnamate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetamido-alpha-cyanocinnamate. Following Lipinski's Rule of Five, Ethyl 4-acetamido-alpha-cyanocinnamate has 1 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 4-acetamido-alpha-cyanocinnamate?
The CAS number of Ethyl 4-acetamido-alpha-cyanocinnamate is 6629-53-4.
What is the molecular formula of Ethyl 4-acetamido-alpha-cyanocinnamate?
The molecular formula of Ethyl 4-acetamido-alpha-cyanocinnamate is C14H14N2O3.
What is the molecular weight of Ethyl 4-acetamido-alpha-cyanocinnamate?
The molecular weight of Ethyl 4-acetamido-alpha-cyanocinnamate is 258.10 g/mol.
Where can I buy Ethyl 4-acetamido-alpha-cyanocinnamate?
You can request a quote for Ethyl 4-acetamido-alpha-cyanocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetamido-alpha-cyanocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetamido-alpha-cyanocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.