Sodium oxiniacate
TL;DR: Sodium oxiniacate (CAS 40950-89-8) is a chemical compound with molecular formula C6H4NNaO3 and molecular weight 161.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: Sodium oxiniacate, Oxiniacic acid sodium salt, Nicotinic acid oxide sodium salt, Nicotinic acid N-oxide sodium salt, N-Hydroxynicotinic acid sodium salt
| Molecular Formula | C6H4NNaO3 |
|---|---|
| Molecular Weight | 161.01 g/mol |
| LogP | -4.31 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.00888 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 40950-89-8 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)[O-].[Na+] |
| InChIKey | LXFVSEQNECEJQB-UHFFFAOYSA-M |
Product Overview
Sodium oxiniacate (CAS 40950-89-8), with molecular formula C6H4NNaO3 and molecular weight 161.01 g/mol. IUPAC: sodium 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of Sodium oxiniacate
Property Insights of Sodium oxiniacate
The XLogP value of -4.31 indicates that Sodium oxiniacate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium oxiniacate. Following Lipinski's Rule of Five, Sodium oxiniacate 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 Sodium oxiniacate?
The CAS number of Sodium oxiniacate is 40950-89-8.
What is the molecular formula of Sodium oxiniacate?
The molecular formula of Sodium oxiniacate is C6H4NNaO3.
What is the molecular weight of Sodium oxiniacate?
The molecular weight of Sodium oxiniacate is 161.01 g/mol.
Where can I buy Sodium oxiniacate?
You can request a quote for Sodium oxiniacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium oxiniacate?
Yes, KEHONG BIO provides custom synthesis services for Sodium oxiniacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.