Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate
TL;DR: Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate (CAS 98072-08-3) is a chemical compound with molecular formula C18H39NO6S and molecular weight 397.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl sulfate;triethyl(2-octanoyloxyethyl)azanium
Also Known As: EINECS 308-458-6, Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate, ethyl sulfate,triethyl(2-octanoyloxyethyl)azanium, ethyl sulfate; triethyl(2-octanoyloxyethyl)azanium, Triethyl[2-[(1-oxooctyl)oxy]ethyl]ammonium ethyl sulphate
| Molecular Formula | C18H39NO6S |
|---|---|
| Molecular Weight | 397.25 g/mol |
| LogP | 3.2497 |
| Topological Polar Surface Area | 92.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 397.24982 |
| Heavy Atoms | 26 |
| Complexity | 426.6976 |
Chemical Identifiers
| CAS Number | 98072-08-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC[N+](CC)(CC)CC.CCOS(=O)(=O)[O-] |
Product Overview
Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate (CAS 98072-08-3), with molecular formula C18H39NO6S and molecular weight 397.25 g/mol. IUPAC: ethyl sulfate;triethyl(2-octanoyloxyethyl)azanium.
Chemical Property Profile of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate
Property Insights of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate
The XLogP value of 3.2497 indicates that Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate. Following Lipinski's Rule of Five, Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate has 0 hydrogen bond donor(s) and 6 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 Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate?
The CAS number of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate is 98072-08-3.
What is the molecular formula of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate?
The molecular formula of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate is C18H39NO6S.
What is the molecular weight of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate?
The molecular weight of Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate is 397.25 g/mol.
Where can I buy Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate?
You can request a quote for Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl(2-((1-oxooctyl)oxy)ethyl)ammonium ethyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.