Ethyl(3e)-2-cyano-3-(phenylimino)propanoate
TL;DR: Ethyl(3e)-2-cyano-3-(phenylimino)propanoate (CAS 74084-50-7) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-phenyliminopropanoate
Also Known As: ethyl 2-cyano-3-phenyliminopropanoate, ethyl(3e)-2-cyano-3-(phenylimino)propanoate, ethyl 2-cyano-3-phenylimino-propanoate, 2-ethyl-2-phenyl-acetoacetic acid ethyl ester, Ethyl (3E)-2-cyano-3-(phenylimino)propanoate
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 74084-50-7 |
|---|---|
| SMILES | CCOC(=O)C(C=NC1=CC=CC=C1)C#N |
| InChIKey | JNETWBWHRKUXBF-UHFFFAOYSA-N |
Product Overview
Ethyl(3e)-2-cyano-3-(phenylimino)propanoate (CAS 74084-50-7), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: ethyl 2-cyano-3-phenyliminopropanoate.
Chemical Property Profile of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate
Property Insights of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(3e)-2-cyano-3-(phenylimino)propanoate. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl(3e)-2-cyano-3-(phenylimino)propanoate. Following Lipinski's Rule of Five, Ethyl(3e)-2-cyano-3-(phenylimino)propanoate 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(3e)-2-cyano-3-(phenylimino)propanoate?
The CAS number of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate is 74084-50-7.
What is the molecular formula of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate?
The molecular formula of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate is C12H12N2O2.
What is the molecular weight of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate?
The molecular weight of Ethyl(3e)-2-cyano-3-(phenylimino)propanoate is 216.09 g/mol.
Where can I buy Ethyl(3e)-2-cyano-3-(phenylimino)propanoate?
You can request a quote for Ethyl(3e)-2-cyano-3-(phenylimino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(3e)-2-cyano-3-(phenylimino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(3e)-2-cyano-3-(phenylimino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.