TL;DR: Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- (CAS 61137-51-7) is a chemical compound with molecular formula C10H17Cl2N3O2 and molecular weight 281.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-[4-(chloromethyl)cyclohexyl]-1-nitrosourea
Also Known As: Urea, trans-, Urea, (E)-, KST-1B6382, 1-(2-chloroethyl)-3-[4-(chloromethyl)cyclohexyl]-1-nitrosourea, trans-1-(2-Chloroethyl)-3-(4-chloromethylcyclohexyl)-1-nitrosourea
| Molecular Formula | C10H17Cl2N3O2 |
| Molecular Weight | 281.0698 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0698 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | C1CC(CCC1CCl)NC(=O)N(CCCl)N=O |
| InChIKey | RVQVPYQLKZEUTR-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans-. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- is 61137-51-7.
The molecular formula of Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- is C10H17Cl2N3O2.
The molecular weight of Urea, N-(2-chloroethyl)-N'-(4-(chloromethyl)cyclohexyl)-N-nitroso-, trans- is 281.0698 g/mol.
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