Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate
TL;DR: Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate (CAS 49837-72-1) is a chemical compound with molecular formula C6H6Cl2N2O2 and molecular weight 207.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2,2-dichloro-1-cyanoethenyl)carbamate
Also Known As: ETHYL N-(1-CYANO-2,2-DICHLOROVINYL)CARBAMATE, Carbamic acid, (2,2-dichloro-1-cyanoethenyl)-, ethyl ester, ethyl (2,2-dichloro-1-cyanovinyl)carbamate, 2,2-dichloro-1-cyanoethenyl ethanecarbamate, ethyl N-(2,2-dichloro-1-cyanoethenyl)carbamate
| Molecular Formula | C6H6Cl2N2O2 |
|---|---|
| Molecular Weight | 207.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.98064 |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 49837-72-1 |
|---|---|
| SMILES | CCOC(=O)NC(=C(Cl)Cl)C#N |
| InChIKey | KPGACQTVHFXIIR-UHFFFAOYSA-N |
Product Overview
Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate (CAS 49837-72-1), with molecular formula C6H6Cl2N2O2 and molecular weight 207.98 g/mol. IUPAC: ethyl N-(2,2-dichloro-1-cyanoethenyl)carbamate.
Chemical Property Profile of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate
Property Insights of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate. Following Lipinski's Rule of Five, Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate has 1 hydrogen bond donor(s) and 3 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-(1-cyano-2,2-dichlorovinyl)carbamate?
The CAS number of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate is 49837-72-1.
What is the molecular formula of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate?
The molecular formula of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate is C6H6Cl2N2O2.
What is the molecular weight of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate?
The molecular weight of Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate is 207.98 g/mol.
Where can I buy Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate?
You can request a quote for Ethyl N-(1-cyano-2,2-dichlorovinyl)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-(1-cyano-2,2-dichlorovinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(1-cyano-2,2-dichlorovinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.