1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
TL;DR: 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea (CAS 13908-16-2) is a chemical compound with molecular formula C12H23ClN2O and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
Also Known As: KST-1B0379, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-urea, N-(2-Chloroethyl)-N'-(3,3,5-trimethylcyclohexyl)urea, Urea, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-
| Molecular Formula | C12H23ClN2O |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.14989 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 13908-16-2 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)NC(=O)NCCCl |
| InChIKey | DSLTZAHFAWMNRS-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea (CAS 13908-16-2), with molecular formula C12H23ClN2O and molecular weight 246.15 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
Property Insights of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea
The XLogP value of 3.0 indicates that 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea has 2 hydrogen bond donor(s) and 1 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-(3,3,5-trimethylcyclohexyl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea is 13908-16-2.
What is the molecular formula of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea is C12H23ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea is 246.15 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(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 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(3,3,5-trimethylcyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.