1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea (CAS 500545-48-2) is a chemical compound with molecular formula C15H26ClN3O2 and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3,3-dicyclohexyl-1-nitrosourea
Also Known As: Lomustine Nitroso Impurity 4, N-Nitroso Lomustine Impurity 2, 1-(2-chloroethyl)-3,3-dicyclohexyl-1-nitrosourea, Urea, N-(2-chloroethyl)-N'-dicyclohexyl-N-nitroso-
| Molecular Formula | C15H26ClN3O2 |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.17136 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 500545-48-2 |
|---|---|
| SMILES | C1CCC(CC1)N(C2CCCCC2)C(=O)N(CCCl)N=O |
| InChIKey | HIJDBDFRIAJVEN-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea (CAS 500545-48-2), with molecular formula C15H26ClN3O2 and molecular weight 315.17 g/mol. IUPAC: 1-(2-chloroethyl)-3,3-dicyclohexyl-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea
The XLogP value of 3.6 indicates that 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea has 0 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 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea is 500545-48-2.
What is the molecular formula of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea is C15H26ClN3O2.
What is the molecular weight of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea is 315.17 g/mol.
Where can I buy 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3,3-dicyclohexyl-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.