![N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] structure](/static/products/161/16174-59-7.png)
N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]
TL;DR: N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] (CAS 16174-59-7) is a chemical compound with molecular formula C12H20Cl2N6O4 and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(1R,2R)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
Also Known As: SRI 2314, 3,3'-(1r,2r)-cyclohexane-1,2-diylbis[1-(2-chloroethyl)-1-nitrosourea], Urea, 1,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-3-, Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-3-nitroso-, trans-1,1'-(1,2-Cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea)
| Molecular Formula | C12H20Cl2N6O4 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.09232 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 16174-59-7 |
|---|---|
| SMILES | C1CC[C@H]([C@@H](C1)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O |
| InChIKey | PNPXJHBSAKUNFW-NXEZZACHSA-N |
Product Overview
N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] (CAS 16174-59-7), with molecular formula C12H20Cl2N6O4 and molecular weight 382.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(1R,2R)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea.
Chemical Property Profile of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]
Property Insights of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]. Following Lipinski's Rule of Five, N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] 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 N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]?
The CAS number of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] is 16174-59-7.
What is the molecular formula of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]?
The molecular formula of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] is C12H20Cl2N6O4.
What is the molecular weight of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]?
The molecular weight of N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] is 382.09 g/mol.
Where can I buy N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]?
You can request a quote for N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid]?
Yes, KEHONG BIO provides custom synthesis services for N',N'''-Cyclohexane-1,2-diylbis[N-(2-chloroethyl)-N-nitrosocarbamimidic acid] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.