Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
TL;DR: Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium (CAS 7425-12-9) is a chemical compound with molecular formula C21H45NO4S and molecular weight 407.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate
Also Known As: N- -N,N-dimethyl-1-hexadecanaminium, Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium, 3-[hexadecyl(dimethyl)ammonio]-2-hydroxypropane-1-sulfonate, 3-(hexadecyldimethylazaniumyl)-2-hydroxypropane-1-sulfonate, 3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate
| Molecular Formula | C21H45NO4S |
|---|---|
| Molecular Weight | 407.31 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 407.30692 |
| Heavy Atoms | 27 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 7425-12-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O |
| InChIKey | OSPOJLWAJPWJTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium (CAS 7425-12-9), with molecular formula C21H45NO4S and molecular weight 407.31 g/mol. IUPAC: 3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate.
Chemical Property Profile of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
Property Insights of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
The XLogP value of 6.2 indicates that Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium. Following Lipinski's Rule of Five, Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium has 1 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 Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium?
The CAS number of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium is 7425-12-9.
What is the molecular formula of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium?
The molecular formula of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium is C21H45NO4S.
What is the molecular weight of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium?
The molecular weight of Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium is 407.31 g/mol.
Where can I buy Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium?
You can request a quote for Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.