TL;DR: Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2- (CAS 61137-49-3) is a chemical compound with molecular formula C12H20ClN3O4 and molecular weight 305.11423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl acetate
Also Known As: Urea, trans-, Acetic acid, (E)-, ACETIC ACID, (4-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)CYCLOHEXYL)METHYL ESTER, (E)-, Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2-, trans-1-(2-Chloroethyl)-3-(4-hydroxycyclohexylmethyl)-1-nitrosourea acetate
| Molecular Formula | C12H20ClN3O4 |
| Molecular Weight | 305.11423 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.11423 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CC(=O)OCC1CCC(CC1)NC(=O)N(CCCl)N=O |
| InChIKey | GSUNXHODQPCMLL-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2-. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2-. Following Lipinski's Rule of Five, Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2- is 61137-49-3.
The molecular formula of Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2- is C12H20ClN3O4.
The molecular weight of Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2- is 305.11423 g/mol.
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