Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-
TL;DR: Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- (CAS 77456-14-5) is a chemical compound with molecular formula C10H18Cl2N6O4S2 and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-[2-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethyldisulfanyl]ethyl]-1-nitrosourea
Also Known As: Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-, -1,1'-dithiodiethylenebis[3-3-nitrosourea], 1,1'-Dithiodiethylenebis(3-(2-chloroethyl)-1-nitrosourea), 5,6-Dithia-2,9,11-triazatridecanamide, 13-chloro-N-(2-chloroethyl)-2,9-dinitroso-10-oxo-, 3-(2-chloroethyl)-1-[2-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethyldisulfanyl]ethyl]-1-nitrosourea
| Molecular Formula | C10H18Cl2N6O4S2 |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 420.0208 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 77456-14-5 |
|---|---|
| SMILES | C(CCl)NC(=O)N(CCSSCCN(C(=O)NCCCl)N=O)N=O |
| InChIKey | MCJTWBSHHKUHDE-UHFFFAOYSA-N |
Product Overview
Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- (CAS 77456-14-5), with molecular formula C10H18Cl2N6O4S2 and molecular weight 420.02 g/mol. IUPAC: 3-(2-chloroethyl)-1-[2-[2-[2-chloroethylcarbamoyl(nitroso)amino]ethyldisulfanyl]ethyl]-1-nitrosourea.
Chemical Property Profile of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-
Property Insights of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-. The TPSA of 174.0 Ų indicates high polarity, suggesting Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- has 2 hydrogen bond donor(s) and 8 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 Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-?
The CAS number of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- is 77456-14-5.
What is the molecular formula of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-?
The molecular formula of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- is C10H18Cl2N6O4S2.
What is the molecular weight of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-?
The molecular weight of Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- is 420.02 g/mol.
Where can I buy Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-?
You can request a quote for Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-1-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.