Ethyl (2E)-cyano(phenylhydrazono)ethanoate
TL;DR: Ethyl (2E)-cyano(phenylhydrazono)ethanoate (CAS 5335-36-4) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-(phenylhydrazinylidene)acetate
Also Known As: E-ethyl cyano(phenylhydrazono)acetate, Ethyl (2E)-cyano(phenylhydrazono)ethanoate, Cyano-(phenyl-hydrazono)-acetic acid ethyl ester, ethyl (2E)-2-cyano-2-(phenylhydrazinylidene)acetate, Ethyl (E)-2-cyano-2-(2-phenylhydrazono)acetate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.54118 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 420.60587 |
Chemical Identifiers
| CAS Number | 5335-36-4 |
|---|---|
| SMILES | CCOC(=O)/C(=N/NC1=CC=CC=C1)/C#N |
Product Overview
Ethyl (2E)-cyano(phenylhydrazono)ethanoate (CAS 5335-36-4), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl (2E)-2-cyano-2-(phenylhydrazinylidene)acetate.
Chemical Property Profile of Ethyl (2E)-cyano(phenylhydrazono)ethanoate
Property Insights of Ethyl (2E)-cyano(phenylhydrazono)ethanoate
The XLogP value of 1.54118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-cyano(phenylhydrazono)ethanoate. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2E)-cyano(phenylhydrazono)ethanoate. Following Lipinski's Rule of Five, Ethyl (2E)-cyano(phenylhydrazono)ethanoate 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 (2E)-cyano(phenylhydrazono)ethanoate?
The CAS number of Ethyl (2E)-cyano(phenylhydrazono)ethanoate is 5335-36-4.
What is the molecular formula of Ethyl (2E)-cyano(phenylhydrazono)ethanoate?
The molecular formula of Ethyl (2E)-cyano(phenylhydrazono)ethanoate is C11H11N3O2.
What is the molecular weight of Ethyl (2E)-cyano(phenylhydrazono)ethanoate?
The molecular weight of Ethyl (2E)-cyano(phenylhydrazono)ethanoate is 217.09 g/mol.
Where can I buy Ethyl (2E)-cyano(phenylhydrazono)ethanoate?
You can request a quote for Ethyl (2E)-cyano(phenylhydrazono)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-cyano(phenylhydrazono)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-cyano(phenylhydrazono)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.