cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)
TL;DR: cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) (CAS 59414-37-8) is a chemical compound with molecular formula C11H18ClN3O4 and molecular weight 291.09857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
Also Known As: Urea, cis-, cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester), [2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate, Urea, N'-[2-(acetyloxy)cyclohexyl]-N-(2-chloroethyl)-N-nitroso-, trans-, Urea, 1-(2-chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitroso-, acetate (ester), (Z)-
Technical Specifications
| Molecular Formula | C11H18ClN3O4 |
| Molecular Weight | 291.09857 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09857 Da |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
| SMILES | CC(=O)OC1CCCCC1NC(=O)N(CCCl)N=O |
| InChIKey | TVOAVZLZJXCTGE-UHFFFAOYSA-N |
Chemical Property Profile of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)
Property Insights of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester). The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester). Following Lipinski's Rule of Five, cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)?
The CAS number of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) is 59414-37-8.
What is the molecular formula of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)?
The molecular formula of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) is C11H18ClN3O4.
What is the molecular weight of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)?
The molecular weight of cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) is 291.09857 g/mol.
Where can I buy cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)?
You can request a quote for cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester)?
Yes, CoreyChem provides custom synthesis services for cis-1-(2-Chloroethyl)-3-(2-hydroxycyclohexyl)-1-nitrosourea acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.