Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid
TL;DR: Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid (CAS 84505-77-1) is a chemical compound with molecular formula C26H50NO3S+ and molecular weight 456.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid
Also Known As: Cetrimonium tosylate, cetyltrimethylammonium p-toluene sulfonate, hexadecyl(trimethyl)azanium; 4-methylbenzenesulfonic acid, hexadecyl(trimethyl)ammonium; 4-methylbenzenesulfonic acid, hexadecyl-trimethyl-ammonium; 4-methylbenzenesulfonic acid
| Molecular Formula | C26H50NO3S+ |
|---|---|
| Molecular Weight | 456.35 g/mol |
| LogP | 7.41562 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 456.35114 |
| Heavy Atoms | 31 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 84505-77-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | MZMRZONIDDFOGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid (CAS 84505-77-1), with molecular formula C26H50NO3S+ and molecular weight 456.35 g/mol. IUPAC: hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid.
Chemical Property Profile of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid
Property Insights of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid
The XLogP value of 7.41562 indicates that Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid?
The CAS number of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid is 84505-77-1.
What is the molecular formula of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid?
The molecular formula of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid is C26H50NO3S+.
What is the molecular weight of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid?
The molecular weight of Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid is 456.35 g/mol.
Where can I buy Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid?
You can request a quote for Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl(trimethyl)azanium;4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.