1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
TL;DR: 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 76629-18-0) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,6-trimethyl-2-oxopyridine-3-carboxylic acid
Also Known As: 1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 1,4,6-trimethyl-2-oxopyridine-3-carboxylic acid, 1,4,6-Trimethyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid, ASN 15024363, 1,4,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.70034 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 417.60336 |
Chemical Identifiers
| CAS Number | 76629-18-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1C)C(=O)O)C |
Product Overview
1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 76629-18-0), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1,4,6-trimethyl-2-oxopyridine-3-carboxylic acid.
Chemical Property Profile of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Property Insights of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
The XLogP value of 0.70034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The CAS number of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 76629-18-0.
What is the molecular formula of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular formula of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is C9H11NO3.
What is the molecular weight of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
The molecular weight of 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid is 181.07 g/mol.
Where can I buy 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
You can request a quote for 1,4,6-Trimethyl-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 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.