1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
TL;DR: 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) (CAS 78480-17-8) is a chemical compound with molecular formula C22H49NO4S and molecular weight 423.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl(trimethyl)azanium;propan-2-yl sulfate
Also Known As: Hexadecyltrimethylammonium isopropyl sulphate, Hexadecyltrimethylammonium, isopropyl sulfate, Hexadecyltrimethylammonium isopropyl sulfate, 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate, hexadecyl(trimethyl)azanium,propan-2-yl sulfate
| Molecular Formula | C22H49NO4S |
|---|---|
| Molecular Weight | 423.34 g/mol |
| LogP | 6.0455 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 423.33823 |
| Heavy Atoms | 28 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 78480-17-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(C)OS(=O)(=O)[O-] |
| InChIKey | TYZDCXVTANEDCG-UHFFFAOYSA-M |
Product Overview
1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) (CAS 78480-17-8), with molecular formula C22H49NO4S and molecular weight 423.34 g/mol. IUPAC: hexadecyl(trimethyl)azanium;propan-2-yl sulfate.
Chemical Property Profile of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
Property Insights of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
The XLogP value of 6.0455 indicates that 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl 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-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1). Following Lipinski's Rule of Five, 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl 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-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The CAS number of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is 78480-17-8.
What is the molecular formula of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The molecular formula of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is C22H49NO4S.
What is the molecular weight of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
The molecular weight of 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) is 423.34 g/mol.
Where can I buy 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
You can request a quote for 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl 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-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.