N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea
TL;DR: N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea (CAS 79955-36-5) is a chemical compound with molecular formula C6H12ClN3O4S and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-methylsulfonylethyl)-1-nitrosourea
Also Known As: Cystemustine, N'- -N-(2- -N'-nitrosourea, N'-(2-Chloroethyl)-N-(2-(methylsulfonyl)ethyl)-N'-nitrosourea, SID:135653796, N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea
| Molecular Formula | C6H12ClN3O4S |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0237 |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 79955-36-5 |
|---|---|
| SMILES | CS(=O)(=O)CCNC(=O)N(CCCl)N=O |
| InChIKey | IUOVOJHLRFQQNS-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea (CAS 79955-36-5), with molecular formula C6H12ClN3O4S and molecular weight 257.02 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-methylsulfonylethyl)-1-nitrosourea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea
Property Insights of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea 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 N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea?
The CAS number of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea is 79955-36-5.
What is the molecular formula of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea?
The molecular formula of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea is C6H12ClN3O4S.
What is the molecular weight of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea?
The molecular weight of N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea is 257.02 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea?
You can request a quote for N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(2-(methylsulfonyl)ethyl)-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.