Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-
TL;DR: Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- (CAS 64624-59-5) is a chemical compound with molecular formula C10H18Cl2N6O4 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-[4-[2-chloroethylcarbamoyl(nitroso)amino]butyl]-1-nitrosourea
Also Known As: Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-, N,N'-Butane-1,4-diylbis[N'-(2-chloroethyl)-N-nitrosourea], 3-(2-chloroethyl)-1-[4-[2-chloroethylcarbamoyl(nitroso)amino]butyl]-1-nitrosourea
| Molecular Formula | C10H18Cl2N6O4 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 356.07666 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 64624-59-5 |
|---|---|
| SMILES | C(CCN(C(=O)NCCCl)N=O)CN(C(=O)NCCCl)N=O |
| InChIKey | BXEXTUPFKYUTRV-UHFFFAOYSA-N |
Product Overview
Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- (CAS 64624-59-5), with molecular formula C10H18Cl2N6O4 and molecular weight 356.08 g/mol. IUPAC: 3-(2-chloroethyl)-1-[4-[2-chloroethylcarbamoyl(nitroso)amino]butyl]-1-nitrosourea.
Chemical Property Profile of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-
Property Insights of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-. Following Lipinski's Rule of Five, Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- has 2 hydrogen bond donor(s) and 6 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, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-?
The CAS number of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- is 64624-59-5.
What is the molecular formula of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-?
The molecular formula of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- is C10H18Cl2N6O4.
What is the molecular weight of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-?
The molecular weight of Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- is 356.08 g/mol.
Where can I buy Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-?
You can request a quote for Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N,N''-1,4-butanediylbis(N'-(2-chloroethyl)-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.