Oxiniacic Acid
TL;DR: Oxiniacic Acid (CAS 2398-81-4) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-3-carboxylic acid
Also Known As: Nicotinic acid N-oxide, Oxiniacic acid, Nicotinic acid 1-oxide, Acido oxiniacico, Acide oxiniacique
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 2398-81-4 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)O |
| InChIKey | FJCFFCXMEXZEIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiniacic Acid (CAS 2398-81-4), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of Oxiniacic Acid
Property Insights of Oxiniacic Acid
The XLogP value of -0.6 indicates that Oxiniacic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiniacic Acid. Following Lipinski's Rule of Five, Oxiniacic Acid has 1 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 Oxiniacic Acid?
The CAS number of Oxiniacic Acid is 2398-81-4.
What is the molecular formula of Oxiniacic Acid?
The molecular formula of Oxiniacic Acid is C6H5NO3.
What is the molecular weight of Oxiniacic Acid?
The molecular weight of Oxiniacic Acid is 139.03 g/mol.
Where can I buy Oxiniacic Acid?
You can request a quote for Oxiniacic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiniacic Acid?
Yes, KEHONG BIO provides custom synthesis services for Oxiniacic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.