Behenamidopropyl ethyldimonium ethosulfate
TL;DR: Behenamidopropyl ethyldimonium ethosulfate (CAS 68797-65-9) is a chemical compound with molecular formula C31H66N2O5S and molecular weight 578.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(docosanoylamino)propyl-ethyl-dimethylazanium;ethyl sulfate
Also Known As: SCHERCOQUAT BAS, MACKERNIUM BAPDES, Behenamidopropyl ethyldimonium ethosulfate, 1-Propanaminium, N-ethyl-N,N-dimethyl-3-((1-oxodocosyl)amino)-, ethyl sulfate, ETHYLDIMETHYLAMINOPROPYL BEHENAMIDE ETHOSULFATE
| Molecular Formula | C31H66N2O5S |
|---|---|
| Molecular Weight | 578.47 g/mol |
| LogP | 7.89 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 26 |
| Exact Mass | 578.46924 |
| Heavy Atoms | 39 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 68797-65-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-] |
| InChIKey | TWZQMJMHQQZDPA-UHFFFAOYSA-N |
Product Overview
Behenamidopropyl ethyldimonium ethosulfate (CAS 68797-65-9), with molecular formula C31H66N2O5S and molecular weight 578.47 g/mol. IUPAC: 3-(docosanoylamino)propyl-ethyl-dimethylazanium;ethyl sulfate.
Chemical Property Profile of Behenamidopropyl ethyldimonium ethosulfate
Property Insights of Behenamidopropyl ethyldimonium ethosulfate
The XLogP value of 7.89 indicates that Behenamidopropyl ethyldimonium ethosulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Behenamidopropyl ethyldimonium ethosulfate. Following Lipinski's Rule of Five, Behenamidopropyl ethyldimonium ethosulfate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Behenamidopropyl ethyldimonium ethosulfate?
The CAS number of Behenamidopropyl ethyldimonium ethosulfate is 68797-65-9.
What is the molecular formula of Behenamidopropyl ethyldimonium ethosulfate?
The molecular formula of Behenamidopropyl ethyldimonium ethosulfate is C31H66N2O5S.
What is the molecular weight of Behenamidopropyl ethyldimonium ethosulfate?
The molecular weight of Behenamidopropyl ethyldimonium ethosulfate is 578.47 g/mol.
Where can I buy Behenamidopropyl ethyldimonium ethosulfate?
You can request a quote for Behenamidopropyl ethyldimonium ethosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Behenamidopropyl ethyldimonium ethosulfate?
Yes, KEHONG BIO provides custom synthesis services for Behenamidopropyl ethyldimonium ethosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.