N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea
TL;DR: N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea (CAS 13909-10-9) is a chemical compound with molecular formula C12H22ClN3O2 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea
Also Known As: 1-(2-Chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea, Urea,3,5-trimethyl- cyclohexyl)-, Urea, 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)-, N-(2-chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea, 3-(2-CHLOROETHYL)-3-NITROSO-1-(3,3,5-TRIMETHYLCYCLOHEXYL)UREA
| Molecular Formula | C12H22ClN3O2 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.14005 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 13909-10-9 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)NC(=O)N(CCCl)N=O |
| InChIKey | VELVBXHUHDAZSG-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea (CAS 13909-10-9), with molecular formula C12H22ClN3O2 and molecular weight 275.14 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-(3,3,5-trimethylcyclohexyl)urea.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea
Property Insights of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea
The XLogP value of 4.0 indicates that N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea 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-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea 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
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea?
The CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea is 13909-10-9.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea is C12H22ClN3O2.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea is 275.14 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-N'-(3,3,5-trimethylcyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.