4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
TL;DR: 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 28816-13-9) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
Also Known As: 2-hydroxy-4,6-dimethylnicotinic acid, 4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid, TimTec1_003131, NCIOpen2_003778
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 28816-13-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C(=O)O)C |
| InChIKey | IBXQMVFDHWEASI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 28816-13-9), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Property Insights of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid has 2 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 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The CAS number of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 28816-13-9.
What is the molecular formula of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular formula of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is C8H9NO3.
What is the molecular weight of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular weight of 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 167.06 g/mol.
Where can I buy 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
You can request a quote for 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.