TL;DR: Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso- (CAS 13909-04-1) is a chemical compound with molecular formula C9H16ClN3O2 and molecular weight 233.09311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea
Also Known As: 1-(2-Chloroethyl)-3-(1-methylcyclopentyl)-1-nitrosourea, NCIOpen2_006303, KST-1B0434, Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso-, Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-N-nitroso-
| Molecular Formula | C9H16ClN3O2 |
| Molecular Weight | 233.09311 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.09311 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | CC1(CCCC1)NC(=O)N(CCCl)N=O |
| InChIKey | IYBJGNAJINQPDR-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso- 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, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso- is 13909-04-1.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso- is C9H16ClN3O2.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(1-methylcyclopentyl)-1-nitroso- is 233.09311 g/mol.
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