TL;DR: Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)- (CAS 61137-59-5) is a chemical compound with molecular formula C12H20Cl2N6O4 and molecular weight 382.09232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
Also Known As: cis-1,4-Cyclohexylenebis(3-, AI3-52894, Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)-, cis-1,4-Cyclohexylenebis(3-(2-chloroethyl)-3-nitrosourea), 3,3'-cyclohexane-1,4-diylbis[1-(2-chloroethyl)-1-nitrosourea]
| Molecular Formula | C12H20Cl2N6O4 |
| Molecular Weight | 382.09232 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.09232 Da |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
| SMILES | C1CC(CCC1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O |
| InChIKey | NLVXTJQYQLAKKJ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)-. Following Lipinski's Rule of Five, Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)- is 61137-59-5.
The molecular formula of Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)- is C12H20Cl2N6O4.
The molecular weight of Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)- is 382.09232 g/mol.
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