2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide
TL;DR: 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide (CAS 849032-76-4) is a chemical compound with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate
Also Known As: 2-acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide, (3-acetyl-4-oxidoquinoxalin-2-yl)methyl pyridine-4-carboxylate, (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate
| Molecular Formula | C17H13N3O4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0906 |
| Heavy Atoms | 24 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 849032-76-4 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-] |
| InChIKey | KXXUNUSANFYXBB-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide (CAS 849032-76-4), with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol. IUPAC: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate.
Chemical Property Profile of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide
Property Insights of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide. Following Lipinski's Rule of Five, 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide 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 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide?
The CAS number of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide is 849032-76-4.
What is the molecular formula of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide?
The molecular formula of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide is C17H13N3O4.
What is the molecular weight of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide?
The molecular weight of 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide is 323.09 g/mol.
Where can I buy 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide?
You can request a quote for 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-((isonicotinoyloxy)methyl)quinoxaline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.