carbonyl}carbamate structure](/static/products/4780/478048-45-2.webp)
ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate
TL;DR: ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate (CAS 478048-45-2) is a chemical compound with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]carbamate
Also Known As: ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate, ethyl N-{2-[2-(3-chlorophenyl)hydrazono]-2-cyanoacetyl}carbamate, Ethyl N-[2-[(3-chlorophenyl)hydrazinylidene]-2-cyano-acetyl]carbamate, ethyl N-[2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]carbamate
| Molecular Formula | C12H11ClN4O3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 1.90418 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.05197 |
| Heavy Atoms | 20 |
| Complexity | 580.3103 |
Chemical Identifiers
| CAS Number | 478048-45-2 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=NNC1=CC(=CC=C1)Cl)C#N |
Product Overview
ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate (CAS 478048-45-2), with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol. IUPAC: ethyl N-[2-[(3-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]carbamate.
Chemical Property Profile of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate
Property Insights of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate
The XLogP value of 1.90418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate. Following Lipinski's Rule of Five, ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate has 2 hydrogen bond donor(s) and 6 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 N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate?
The CAS number of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate is 478048-45-2.
What is the molecular formula of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate?
The molecular formula of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate is C12H11ClN4O3.
What is the molecular weight of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate?
The molecular weight of ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate is 294.05 g/mol.
Where can I buy ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate?
You can request a quote for ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-{[2-(3-chlorophenyl)hydrazin-1-ylidene](cyano)carbonyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.