1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate
TL;DR: 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate (CAS 63680-77-3) is a chemical compound with molecular formula C28H39NO3S and molecular weight 469.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dodecylquinolin-1-ium;4-methylbenzenesulfonate
Also Known As: 1-Dodecylquinolinium p-toluenesulfonate, Quinolinium, 1-dodecyl-, p-toluenesulfonate, 1-dodecylquinolinium 4-methylbenzenesulfonate, 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate, 1-dodecylquinolin-1-ium; 4-methylbenzenesulfonate
| Molecular Formula | C28H39NO3S |
|---|---|
| Molecular Weight | 469.27 g/mol |
| LogP | 6.95 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.26508 |
| Heavy Atoms | 33 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 63680-77-3 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | GZNVUIHRZNDEDD-UHFFFAOYSA-M |
Product Overview
1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate (CAS 63680-77-3), with molecular formula C28H39NO3S and molecular weight 469.27 g/mol. IUPAC: 1-dodecylquinolin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate
Property Insights of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate
The XLogP value of 6.95 indicates that 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate 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 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate 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 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate?
The CAS number of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate is 63680-77-3.
What is the molecular formula of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate?
The molecular formula of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate is C28H39NO3S.
What is the molecular weight of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate?
The molecular weight of 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate is 469.27 g/mol.
Where can I buy 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate?
You can request a quote for 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecylquinolin-1-ium 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.