Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)
TL;DR: Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) (CAS 63512-57-2) is a chemical compound with molecular formula C25H25NO3S2 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-methyl-2-phenylsulfanylquinolin-1-ium;4-methylbenzenesulfonate
Also Known As: Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, salt with 4-methylbenzenesulfonic acid (1:1), Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1), 1-ethyl-6-methyl-2-phenylsulfanylquinolin-1-ium; 4-methylbenzenesulfonate, 1-Ethyl-6-methyl-2-(phenylsulfanyl)quinolin-1-ium 4-methylbenzene-1-sulfonate, RefChem:178295
| Molecular Formula | C25H25NO3S2 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 5.51 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.1276 |
| Heavy Atoms | 31 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 63512-57-2 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | QSARWKVCXBYGKA-UHFFFAOYSA-M |
Product Overview
Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) (CAS 63512-57-2), with molecular formula C25H25NO3S2 and molecular weight 451.13 g/mol. IUPAC: 1-ethyl-6-methyl-2-phenylsulfanylquinolin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)
Property Insights of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 5.51 indicates that Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (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 Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) is 63512-57-2.
What is the molecular formula of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) is C25H25NO3S2.
What is the molecular weight of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) is 451.13 g/mol.
Where can I buy Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 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 Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-ethyl-6-methyl-2-(phenylthio)-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.