![[(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate structure](/static/products/594/59414-38-9.png)
[(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
TL;DR: [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate (CAS 59414-38-9) is a chemical compound with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
Also Known As: Urea, trans-, J1.622.459F, [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate, N-[(1S,2S)-2-Acetoxycyclohexyl]-N -nitroso-N -(2-chloroethyl)urea, (1S,2S)-2-{[N-(2-CHLOROETHYL)-N'-OXOHYDRAZINECARBONYL]AMINO}CYCLOHEXYL ACETATE
| Molecular Formula | C11H18ClN3O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09857 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 59414-38-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCCC[C@@H]1NC(=O)N(CCCl)N=O |
| InChIKey | TVOAVZLZJXCTGE-UWVGGRQHSA-N |
Product Overview
[(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate (CAS 59414-38-9), with molecular formula C11H18ClN3O4 and molecular weight 291.10 g/mol. IUPAC: [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate.
Chemical Property Profile of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
Property Insights of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate. Following Lipinski's Rule of Five, [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate 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
Frequently Asked Questions
What is the CAS number of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate?
The CAS number of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate is 59414-38-9.
What is the molecular formula of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate?
The molecular formula of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate is C11H18ClN3O4.
What is the molecular weight of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate?
The molecular weight of [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate is 291.10 g/mol.
Where can I buy [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate?
You can request a quote for [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1S,2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.