Ethyl 2-cyano-3-(4-methoxyanilino)acrylate
TL;DR: Ethyl 2-cyano-3-(4-methoxyanilino)acrylate (CAS 58286-24-1) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-methoxyanilino)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(4-methoxyanilino)acrylate, ethyl 2-cyano-3-[(4-methoxyphenyl)amino]prop-2-enoate, ethyl 2-cyano-3-(4-methoxyanilino)prop-2-enoate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 58286-24-1 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)OC)C#N |
| InChIKey | ALXBEFGGJFWDHG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-(4-methoxyanilino)acrylate (CAS 58286-24-1), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: ethyl 2-cyano-3-(4-methoxyanilino)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate
Property Insights of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(4-methoxyanilino)acrylate. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(4-methoxyanilino)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(4-methoxyanilino)acrylate has 1 hydrogen bond donor(s) and 5 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 2-cyano-3-(4-methoxyanilino)acrylate?
The CAS number of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate is 58286-24-1.
What is the molecular formula of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate?
The molecular formula of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate is C13H14N2O3.
What is the molecular weight of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate?
The molecular weight of Ethyl 2-cyano-3-(4-methoxyanilino)acrylate is 246.10 g/mol.
Where can I buy Ethyl 2-cyano-3-(4-methoxyanilino)acrylate?
You can request a quote for Ethyl 2-cyano-3-(4-methoxyanilino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(4-methoxyanilino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(4-methoxyanilino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.