N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid
TL;DR: N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid (CAS 33021-96-4) 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-(3-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
Also Known As: 3-(3-tert-Butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea, Urea, 3-(3-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-, Urea,1-(2-chloroethyl)-3-(2-cyclohexenyl)-1-nitroso, N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid, 1-(3-TERT-BUTYLCYCLOHEXYL)-3-(2-CHLOROETHYL)-3-NITROSOUREA
Technical Specifications
| 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 | 318.0 |
| SMILES | CC(C)(C)C1CCCC(C1)NC(=O)N(CCCl)N=O |
| InChIKey | LTXPNHSMRSFKEW-UHFFFAOYSA-N |
Chemical Property Profile of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid
Property Insights of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid
The XLogP value of 4.5 indicates that N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid 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 N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid. Following Lipinski's Rule of Five, N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid?
The CAS number of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid is 33021-96-4.
What is the molecular formula of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid?
The molecular formula of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid is C13H24ClN3O2.
What is the molecular weight of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid?
The molecular weight of N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid is 289.1557 g/mol.
Where can I buy N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid?
You can request a quote for N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid?
Yes, CoreyChem provides custom synthesis services for N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.