4-(Methylsulfonyl)quinoline 1-oxide
TL;DR: 4-(Methylsulfonyl)quinoline 1-oxide (CAS 20872-53-1) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-1-oxidoquinolin-1-ium
Also Known As: 4-(Methylsulfonyl)quinoline 1-oxide, 4-methylsulfonyl-1-oxidoquinolin-1-ium, J1.605.907B, 4-METHANESULFONYLQUINOLIN-1-IUM-1-OLATE
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 20872-53-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=[N+](C2=CC=CC=C21)[O-] |
| InChIKey | OCKDUBUWILOJFM-UHFFFAOYSA-N |
Product Overview
4-(Methylsulfonyl)quinoline 1-oxide (CAS 20872-53-1), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 4-methylsulfonyl-1-oxidoquinolin-1-ium.
Chemical Property Profile of 4-(Methylsulfonyl)quinoline 1-oxide
Property Insights of 4-(Methylsulfonyl)quinoline 1-oxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfonyl)quinoline 1-oxide. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfonyl)quinoline 1-oxide. Following Lipinski's Rule of Five, 4-(Methylsulfonyl)quinoline 1-oxide 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 4-(Methylsulfonyl)quinoline 1-oxide?
The CAS number of 4-(Methylsulfonyl)quinoline 1-oxide is 20872-53-1.
What is the molecular formula of 4-(Methylsulfonyl)quinoline 1-oxide?
The molecular formula of 4-(Methylsulfonyl)quinoline 1-oxide is C10H9NO3S.
What is the molecular weight of 4-(Methylsulfonyl)quinoline 1-oxide?
The molecular weight of 4-(Methylsulfonyl)quinoline 1-oxide is 223.03 g/mol.
Where can I buy 4-(Methylsulfonyl)quinoline 1-oxide?
You can request a quote for 4-(Methylsulfonyl)quinoline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfonyl)quinoline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfonyl)quinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.