Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-
TL;DR: Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- (CAS 60196-94-3) is a chemical compound with molecular formula C13H16Cl2N6O4 and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylphenyl]-1-nitrosourea
Also Known As: BK6 (pharmaceutical), BK-6 (pharmaceutical), N,N''-(4-Methyl-1,3-phenylenebis(N'-(2-chloroethyl)-N'-nitrosourea, Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-, 1,1'-(4-Methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea)
| Molecular Formula | C13H16Cl2N6O4 |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.061 |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 60196-94-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O |
| InChIKey | VUVZSBPMOHFBPB-UHFFFAOYSA-N |
Product Overview
Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- (CAS 60196-94-3), with molecular formula C13H16Cl2N6O4 and molecular weight 390.06 g/mol. IUPAC: 1-(2-chloroethyl)-3-[3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylphenyl]-1-nitrosourea.
Chemical Property Profile of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-
Property Insights of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-. Following Lipinski's Rule of Five, Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-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, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-?
The CAS number of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- is 60196-94-3.
What is the molecular formula of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-?
The molecular formula of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- is C13H16Cl2N6O4.
What is the molecular weight of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-?
The molecular weight of Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- is 390.06 g/mol.
Where can I buy Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-?
You can request a quote for Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-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'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.