Ethyl N-2-acetoxyethylnitrosocarbamate
TL;DR: Ethyl N-2-acetoxyethylnitrosocarbamate (CAS 62681-13-4) is a chemical compound with molecular formula C7H12N2O5 and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxycarbonyl(nitroso)amino]ethyl acetate
Also Known As: Ethyl N-2-acetoxyethylnitrosocarbamate, N-Acetoxyethyl-N-nitrosourethane, Ethyl 2-acetoxyethylnitrosocarbamate, Ethyl N-(2-acetoxyethyl)-N-nitrosocarbamate, N-(2-Acetoxyethyl)-N-nitrosocarbamic acid ethyl ester
| Molecular Formula | C7H12N2O5 |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.07462 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 62681-13-4 |
|---|---|
| SMILES | CCOC(=O)N(CCOC(=O)C)N=O |
| InChIKey | ZUPMZPDNCIDBJG-UHFFFAOYSA-N |
Product Overview
Ethyl N-2-acetoxyethylnitrosocarbamate (CAS 62681-13-4), with molecular formula C7H12N2O5 and molecular weight 204.07 g/mol. IUPAC: 2-[ethoxycarbonyl(nitroso)amino]ethyl acetate.
Chemical Property Profile of Ethyl N-2-acetoxyethylnitrosocarbamate
Property Insights of Ethyl N-2-acetoxyethylnitrosocarbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-2-acetoxyethylnitrosocarbamate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-2-acetoxyethylnitrosocarbamate. Following Lipinski's Rule of Five, Ethyl N-2-acetoxyethylnitrosocarbamate has 0 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-acetoxyethylnitrosocarbamate?
The CAS number of Ethyl N-2-acetoxyethylnitrosocarbamate is 62681-13-4.
What is the molecular formula of Ethyl N-2-acetoxyethylnitrosocarbamate?
The molecular formula of Ethyl N-2-acetoxyethylnitrosocarbamate is C7H12N2O5.
What is the molecular weight of Ethyl N-2-acetoxyethylnitrosocarbamate?
The molecular weight of Ethyl N-2-acetoxyethylnitrosocarbamate is 204.07 g/mol.
Where can I buy Ethyl N-2-acetoxyethylnitrosocarbamate?
You can request a quote for Ethyl N-2-acetoxyethylnitrosocarbamate 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-acetoxyethylnitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-2-acetoxyethylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.