Butyl (2-chloroethyl)nitrosocarbamate
TL;DR: Butyl (2-chloroethyl)nitrosocarbamate (CAS 72826-34-7) is a chemical compound with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: Carbamic acid, butyl ester, Butyl (2-chloroethyl)nitrosocarbamate, butyl(2-chloroethyl)nitrosocarbamate, NIOSH/EZ1895000, Butyl (2-chloroethyl)(nitroso)carbamate
| Molecular Formula | C7H13ClN2O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.06146 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 72826-34-7 |
|---|---|
| SMILES | CCCCOC(=O)N(CCCl)N=O |
| InChIKey | HLWWEFGUYARDQQ-UHFFFAOYSA-N |
Product Overview
Butyl (2-chloroethyl)nitrosocarbamate (CAS 72826-34-7), with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol. IUPAC: butyl N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of Butyl (2-chloroethyl)nitrosocarbamate
Property Insights of Butyl (2-chloroethyl)nitrosocarbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (2-chloroethyl)nitrosocarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, Butyl (2-chloroethyl)nitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (2-chloroethyl)nitrosocarbamate 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 Butyl (2-chloroethyl)nitrosocarbamate?
The CAS number of Butyl (2-chloroethyl)nitrosocarbamate is 72826-34-7.
What is the molecular formula of Butyl (2-chloroethyl)nitrosocarbamate?
The molecular formula of Butyl (2-chloroethyl)nitrosocarbamate is C7H13ClN2O3.
What is the molecular weight of Butyl (2-chloroethyl)nitrosocarbamate?
The molecular weight of Butyl (2-chloroethyl)nitrosocarbamate is 208.06 g/mol.
Where can I buy Butyl (2-chloroethyl)nitrosocarbamate?
You can request a quote for Butyl (2-chloroethyl)nitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (2-chloroethyl)nitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (2-chloroethyl)nitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.