Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- (CAS 33021-59-9) is a chemical compound with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)urea
Also Known As: KST-1B3179, n-Butylmercapto-bernsteinsaeurediethylester, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)urea, Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-, 1-(2-chloroethyl)-3-(3,5,7-trimethyltricyclo[3.3.1.13,7]dec-1-yl)urea
| Molecular Formula | C16H27ClN2O |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.18118 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 33021-59-9 |
|---|---|
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)NCCCl)C)C |
| InChIKey | LFKQXXPDBWHTFZ-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- (CAS 33021-59-9), with molecular formula C16H27ClN2O and molecular weight 298.18 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-
The XLogP value of 3.8 indicates that Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- 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 Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- is 33021-59-9.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- is C16H27ClN2O.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- is 298.18 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.