Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) (CAS 34359-90-5) is a chemical compound with molecular formula C28H45NO3S and molecular weight 475.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexadecylpyridin-1-ium;4-methylbenzenesulfonate
Also Known As: 1-hexadecylpyridinium 4-methylbenzenesulfonate, Pyridinium, 1-hexadecyl-, p-toluenesulfonate, Pyridinium, 1-hexadecyl-, salt with 4-methylbenzenesulfonic acid (1:1), Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1), 1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate
| Molecular Formula | C28H45NO3S |
|---|---|
| Molecular Weight | 475.31 g/mol |
| LogP | 7.35 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 475.312 |
| Heavy Atoms | 33 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 34359-90-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | BUAUZIKFYHTSRC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) (CAS 34359-90-5), with molecular formula C28H45NO3S and molecular weight 475.31 g/mol. IUPAC: 1-hexadecylpyridin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 7.35 indicates that Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) has 0 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 Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) is 34359-90-5.
What is the molecular formula of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) is C28H45NO3S.
What is the molecular weight of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) is 475.31 g/mol.
Where can I buy Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-hexadecyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.