1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)
TL;DR: 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) (CAS 67907-06-6) is a chemical compound with molecular formula C58H121NO4S and molecular weight 927.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl sulfate;ethyl(trioctadecyl)azanium
Also Known As: Tristearylethylammonium ethosulfate, Ethyltri(octadecyl)ammonium ethyl sulphate, ethyl sulfate; ethyl(trioctadecyl)azanium, 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate, n-ethyl-n,n-dioctadecyloctadecan-1-aminium ethyl sulfate
| Molecular Formula | C58H121NO4S |
|---|---|
| Molecular Weight | 927.90 g/mol |
| LogP | 20.09 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 53 |
| Exact Mass | 927.9016 |
| Heavy Atoms | 64 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 67907-06-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-] |
| InChIKey | MGUHJFIMPPINPG-UHFFFAOYSA-M |
Product Overview
1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) (CAS 67907-06-6), with molecular formula C58H121NO4S and molecular weight 927.90 g/mol. IUPAC: ethyl sulfate;ethyl(trioctadecyl)azanium.
Chemical Property Profile of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)
Property Insights of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)
The XLogP value of 20.09 indicates that 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)?
The CAS number of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) is 67907-06-6.
What is the molecular formula of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)?
The molecular formula of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) is C58H121NO4S.
What is the molecular weight of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)?
The molecular weight of 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) is 927.90 g/mol.
Where can I buy 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)?
You can request a quote for 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Octadecanaminium, N-ethyl-N,N-dioctadecyl-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.