3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)
TL;DR: 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) (CAS 60758-60-3) is a chemical compound with molecular formula C19H32Cl2N6O4 and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitrosourea
Also Known As: NCI60_000950, 3,3'-(methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea], trans-Methylenedi(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea), 1,1-CYCLOHEXYLENE)BIS[3-(2-CHLOROETHYL)]-3-NITROSOUREA, 1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl
| Molecular Formula | C19H32Cl2N6O4 |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.18622 |
| Heavy Atoms | 31 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 60758-60-3 |
|---|---|
| SMILES | C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O |
| InChIKey | CHRJZHUVRKHISQ-UHFFFAOYSA-N |
Product Overview
3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) (CAS 60758-60-3), with molecular formula C19H32Cl2N6O4 and molecular weight 478.19 g/mol. IUPAC: 1-(2-chloroethyl)-3-[4-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl]cyclohexyl]-1-nitrosourea.
Chemical Property Profile of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)
Property Insights of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)
The XLogP value of 4.1 indicates that 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea). Following Lipinski's Rule of Five, 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(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'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)?
The CAS number of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) is 60758-60-3.
What is the molecular formula of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)?
The molecular formula of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) is C19H32Cl2N6O4.
What is the molecular weight of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)?
The molecular weight of 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) is 478.19 g/mol.
Where can I buy 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)?
You can request a quote for 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(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'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Methanediyldicyclohexane-4,1-diyl)bis(1-(2-chloroethyl)-1-nitrosourea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.