TL;DR: Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans- (CAS 13991-73-6) is a chemical compound with molecular formula C13H24ClN3O2 and molecular weight 289.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
Also Known As: Urea, trans-, Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans-, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea, trans-1-(4-tert-Butylcyclohexyl)-3-(2-chloroethyl)-3-nitrosourea, trans-3-(4-tert-Butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
| Molecular Formula | C13H24ClN3O2 |
| Molecular Weight | 289.1557 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.1557 Da |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
| SMILES | CC(C)(C)C1CCC(CC1)NC(=O)N(CCCl)N=O |
| InChIKey | JGVZJEBTNOTFHD-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-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, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans-. Following Lipinski's Rule of Five, Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-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, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans- is 13991-73-6.
The molecular formula of Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans- is C13H24ClN3O2.
The molecular weight of Urea, 3-(4-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans- is 289.1557 g/mol.
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