![3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] structure](/static/products/1390/13907-58-9.webp)
3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]
TL;DR: 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] (CAS 13907-58-9) is a chemical compound with molecular formula C12H14Cl2N6O4 and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]-1-nitrosourea
Also Known As: 3,3'-benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea], Urea,1'-o-phenylenebis[3-(2-chloroethyl)-3-nitroso-, N',N''-1,2-Phenylenebis[N-(2-chloroethyl)-N-nitrosourea], Urea, 1,1'-o-phenylenebis[3-(2-chloroethyl)-3-nitroso-, 1,1'-(1,2-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea)
| Molecular Formula | C12H14Cl2N6O4 |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.04535 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 13907-58-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O |
| InChIKey | ODFNKHASETVMLH-UHFFFAOYSA-N |
Product Overview
3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] (CAS 13907-58-9), with molecular formula C12H14Cl2N6O4 and molecular weight 376.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]-1-nitrosourea.
Chemical Property Profile of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]
Property Insights of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]. Following Lipinski's Rule of Five, 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] 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 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]?
The CAS number of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] is 13907-58-9.
What is the molecular formula of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]?
The molecular formula of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] is C12H14Cl2N6O4.
What is the molecular weight of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]?
The molecular weight of 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] is 376.05 g/mol.
Where can I buy 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]?
You can request a quote for 3,3'-Benzene-1,2-diylbis[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 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea]?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Benzene-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.