Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
TL;DR: Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 223398-02-5) is a chemical compound with molecular formula C18H17NO4S and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;1-methylquinolin-1-ium-4-carbaldehyde
Also Known As: 4-formyl-1-methylquinolinium-p-toluenesulfonate, 4-Formyl-1-methylquinolin-1-ium 4-methylbenzene-1-sulfonate, QUINOLINIUM,4-FORMYL-1-METHYL-,SALTWITH4-METHYLBENZENESULFONICACID, IUPAC: 4-methylbenzenesulfonate; 1-methylquinoline-4-carbaldehyde, Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C18H17NO4S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 2.37592 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08783 |
| Heavy Atoms | 24 |
| Complexity | 963.9802 |
Chemical Identifiers
| CAS Number | 223398-02-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C=O |
Product Overview
Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) (CAS 223398-02-5), with molecular formula C18H17NO4S and molecular weight 343.09 g/mol. IUPAC: 4-methylbenzenesulfonate;1-methylquinolin-1-ium-4-carbaldehyde.
Chemical Property Profile of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
Property Insights of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 2.37592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1). The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) has 0 hydrogen bond donor(s) and 4 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, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is 223398-02-5.
What is the molecular formula of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is C18H17NO4S.
What is the molecular weight of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) is 343.09 g/mol.
Where can I buy Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Quinolinium, 4-formyl-1-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, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 4-formyl-1-methyl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.