Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate
TL;DR: Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate (CAS 64049-56-5) is a chemical compound with molecular formula C27H50FNO3S and molecular weight 487.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobenzenesulfonate;trimethyl(octadecyl)azanium
Also Known As: Octadecyltrimethylammonium p-fluorobenzenesulfonate, AMMONIUM, OCTADECYLTRIMETHYL-, p-FLUOROBENZENESULFONATE, 4-fluorobenzenesulfonate; trimethyl(octadecyl)azanium, N,N,N-Trimethyloctadecan-1-aminium 4-fluorobenzene-1-sulfonate, 1-Octadecanaminium, N,N,N-trimethyl-, salt with 4-fluorobenzenesulfonic acid (1:1)
| Molecular Formula | C27H50FNO3S |
|---|---|
| Molecular Weight | 487.35 g/mol |
| LogP | 7.68 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 487.34955 |
| Heavy Atoms | 33 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 64049-56-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=CC=C1F)S(=O)(=O)[O-] |
| InChIKey | LUFNUEUHZJKDIE-UHFFFAOYSA-M |
Product Overview
Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate (CAS 64049-56-5), with molecular formula C27H50FNO3S and molecular weight 487.35 g/mol. IUPAC: 4-fluorobenzenesulfonate;trimethyl(octadecyl)azanium.
Chemical Property Profile of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate
Property Insights of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate
The XLogP value of 7.68 indicates that Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate. Following Lipinski's Rule of Five, Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate 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 Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate?
The CAS number of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate is 64049-56-5.
What is the molecular formula of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate?
The molecular formula of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate is C27H50FNO3S.
What is the molecular weight of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate?
The molecular weight of Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate is 487.35 g/mol.
Where can I buy Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate?
You can request a quote for Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, octadecyltrimethyl-, p-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.