1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea (CAS 91893-64-0) is a chemical compound with molecular formula C9H19ClN4O4S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[4-(dimethylsulfamoyl)butyl]-1-nitrosourea
Also Known As: 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea, 1-Butanesulfonamide, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-, 4-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-1-butanesulfonamide, 1-(2-chloroethyl)-3-[4-(dimethylsulfamoyl)butyl]-1-nitrosourea, 4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-N,N-dimethylbutane-1-sulfonamide
| Molecular Formula | C9H19ClN4O4S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 0.5898 |
| Topological Polar Surface Area | 99.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.08154 |
| Heavy Atoms | 19 |
| Complexity | 387.68085 |
Chemical Identifiers
| CAS Number | 91893-64-0 |
|---|---|
| SMILES | CN(C)S(=O)(=O)CCCCNC(=O)N(CCCl)N=O |
Product Overview
1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea (CAS 91893-64-0), with molecular formula C9H19ClN4O4S and molecular weight 314.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-[4-(dimethylsulfamoyl)butyl]-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea
The XLogP value of 0.5898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea. The TPSA of 99.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-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 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea is 91893-64-0.
What is the molecular formula of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea is C9H19ClN4O4S.
What is the molecular weight of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea is 314.08 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(4-(dimethylaminosulfonyl)butyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.