2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
TL;DR: 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- (CAS 95733-77-0) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-phenylpyridine-2,6-dicarboxylic acid
Also Known As: 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-, 4-oxo-1-phenylpyridine-2,6-dicarboxylic acid, 4-oxo-1-phenyl-pyridine-2,6-dicarboxylic Acid, 1,4-dihydro-4-oxo-1-phenyl-2,6-pyridinedicarboxylic acid, 4-oxo-1-phenyl-1,4-dihydropyridine-2,6-dicarboxylic acid
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 1.2339 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 664.4687 |
Chemical Identifiers
| CAS Number | 95733-77-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=O)C=C2C(=O)O)C(=O)O |
Product Overview
2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- (CAS 95733-77-0), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: 4-oxo-1-phenylpyridine-2,6-dicarboxylic acid.
Chemical Property Profile of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
Property Insights of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-
The XLogP value of 1.2339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-. Following Lipinski's Rule of Five, 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- 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 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The CAS number of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is 95733-77-0.
What is the molecular formula of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The molecular formula of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is C13H9NO5.
What is the molecular weight of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
The molecular weight of 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- is 259.05 g/mol.
Where can I buy 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
You can request a quote for 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.