4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium
TL;DR: 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium (CAS 157563-22-9) is a chemical compound with molecular formula C15H9N3O5S and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium
Also Known As: 4-(2,4-dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium, 4-((2,4-dinitrophenyl)thio)quinoline 1-oxide, 4-(2,4-Dinitro-phenylsulfanyl)-quinoline 1-oxide, 4-[(2,4-Dinitrophenyl)sulfanyl]quinoline 1-oxide, 4-[(2,4-Dinitrophenyl)sulfanyl]-1-oxo-1lambda~5~-quinoline
| Molecular Formula | C15H9N3O5S |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.0263 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 157563-22-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=[N+]2[O-])SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BZFBORQXDGONOM-UHFFFAOYSA-N |
Product Overview
4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium (CAS 157563-22-9), with molecular formula C15H9N3O5S and molecular weight 343.03 g/mol. IUPAC: 4-(2,4-dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium.
Chemical Property Profile of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium
Property Insights of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium. The TPSA of 142.0 Ų indicates high polarity, suggesting 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium has 0 hydrogen bond donor(s) and 6 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 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium?
The CAS number of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium is 157563-22-9.
What is the molecular formula of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium?
The molecular formula of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium is C15H9N3O5S.
What is the molecular weight of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium?
The molecular weight of 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium is 343.03 g/mol.
Where can I buy 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium?
You can request a quote for 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dinitrophenyl)sulfanyl-1-oxidoquinolin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.