3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester
TL;DR: 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester (CAS 849918-34-9) 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-3-carboxylate
Also Known As: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate, 2-Acetyl-3-((nicotinoyloxy)methyl)quinoxaline 1-oxide, 3-pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester, (3-acetyl-4-oxidoquinoxalin-2-yl)methyl pyridine-3-carboxylate, nicotinic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester
| 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 | 473.0 |
Chemical Identifiers
| CAS Number | 849918-34-9 |
|---|---|
| SMILES | CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CN=CC=C3)[O-] |
| InChIKey | KCRWYDLSCHKTSX-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester (CAS 849918-34-9), with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol. IUPAC: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester
Property Insights of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester 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 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester?
The CAS number of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester is 849918-34-9.
What is the molecular formula of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester is C17H13N3O4.
What is the molecular weight of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester is 323.09 g/mol.
Where can I buy 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.