3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea
TL;DR: 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea (CAS 91893-39-9) is a chemical compound with molecular formula C12H17ClN4O4S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzylsulfamoyl)ethyl]-1-(2-chloroethyl)-1-nitrosourea
Also Known As: 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea, Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-(phenylmethyl)-, 2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-N-(phenylmethyl)ethanesulfonamide, 3-[2-(benzylsulfamoyl)ethyl]-1-(2-chloroethyl)-1-nitrosourea, N-Benzyl-2-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethane-1-sulfonamide
| Molecular Formula | C12H17ClN4O4S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 1.0378 |
| Topological Polar Surface Area | 107.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.06592 |
| Heavy Atoms | 22 |
| Complexity | 582.0489 |
Chemical Identifiers
| CAS Number | 91893-39-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)CCNC(=O)N(CCCl)N=O |
Product Overview
3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea (CAS 91893-39-9), with molecular formula C12H17ClN4O4S and molecular weight 348.07 g/mol. IUPAC: 3-[2-(benzylsulfamoyl)ethyl]-1-(2-chloroethyl)-1-nitrosourea.
Chemical Property Profile of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea
Property Insights of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea
The XLogP value of 1.0378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea. The TPSA of 107.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea. Following Lipinski's Rule of Five, 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea has 2 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 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea?
The CAS number of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea is 91893-39-9.
What is the molecular formula of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea?
The molecular formula of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea is C12H17ClN4O4S.
What is the molecular weight of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea?
The molecular weight of 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea is 348.07 g/mol.
Where can I buy 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea?
You can request a quote for 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Benzylaminosulfonyl)ethyl)-1-(2-chloroethyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.