4-oxido-1H-quinoxalin-4-ium-2-one
TL;DR: 4-oxido-1H-quinoxalin-4-ium-2-one (CAS 17508-35-9) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxido-1H-quinoxalin-4-ium-2-one
Also Known As: 2-quinoxalinol4-oxide, 2-quinoxalinol-4-oxide, 4-oxido-1H-quinoxalin-4-ium-2-one, 4-oxy-1H-quinoxalin-2-one, 2(1H)-Quinoxalinone,4-oxide
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 17508-35-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C=[N+]2[O-] |
| InChIKey | XNSYCGZYOOUZKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-oxido-1H-quinoxalin-4-ium-2-one (CAS 17508-35-9), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 4-oxido-1H-quinoxalin-4-ium-2-one.
Chemical Property Profile of 4-oxido-1H-quinoxalin-4-ium-2-one
Property Insights of 4-oxido-1H-quinoxalin-4-ium-2-one
The XLogP value of -0.5 indicates that 4-oxido-1H-quinoxalin-4-ium-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.9 Ų, 4-oxido-1H-quinoxalin-4-ium-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxido-1H-quinoxalin-4-ium-2-one has 1 hydrogen bond donor(s) and 2 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-oxido-1H-quinoxalin-4-ium-2-one?
The CAS number of 4-oxido-1H-quinoxalin-4-ium-2-one is 17508-35-9.
What is the molecular formula of 4-oxido-1H-quinoxalin-4-ium-2-one?
The molecular formula of 4-oxido-1H-quinoxalin-4-ium-2-one is C8H6N2O2.
What is the molecular weight of 4-oxido-1H-quinoxalin-4-ium-2-one?
The molecular weight of 4-oxido-1H-quinoxalin-4-ium-2-one is 162.04 g/mol.
Where can I buy 4-oxido-1H-quinoxalin-4-ium-2-one?
You can request a quote for 4-oxido-1H-quinoxalin-4-ium-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxido-1H-quinoxalin-4-ium-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-oxido-1H-quinoxalin-4-ium-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.