Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 55952-56-2) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-methylquinolin-1-ium;4-methylbenzenesulfonate
Also Known As: 1-Ethyl-4-methylquinolinium p-toluenesulfonate, 1-Ethyl-4-methylquinolinium toluene-p-sulphonate, Phenylalanine, N-(2-naphthalenylsulfonyl)-, 1-ethyl-4-methylquinolin-1-ium; 4-methylbenzenesulfonate, 1-ethyl-4-methylquinolinium 4-methylbenzenesulfonate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.35 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 55952-56-2 |
|---|---|
| SMILES | CC[N+]1=CC=C(C2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | IVVQOSKVQMKYEQ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 55952-56-2), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: 1-ethyl-4-methylquinolin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 3.35 indicates that Quinolinium, 1-ethyl-4-methyl-, 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 Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) is 55952-56-2.
What is the molecular formula of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) is C19H21NO3S.
What is the molecular weight of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) is 343.12 g/mol.
Where can I buy Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Quinolinium, 1-ethyl-4-methyl-, 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-4-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-ethyl-4-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.