Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate
TL;DR: Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate (CAS 20443-03-2) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-oxo-1H-pyridine-2,6-dicarboxylate
Also Known As: dimethyl 4-hydroxypyridine-2,6-dicarboxylate, dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate, dimethyl 4-oxo-1H-pyridine-2,6-dicarboxylate, 2,6-dimethyl 4-hydroxypyridine-2,6-dicarboxylate, 2,6-dimethylpyridinedicarboxylate
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 20443-03-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C=C(N1)C(=O)OC |
| InChIKey | FERASHUCDLDGHK-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate (CAS 20443-03-2), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: dimethyl 4-oxo-1H-pyridine-2,6-dicarboxylate.
Chemical Property Profile of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate
Property Insights of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate?
The CAS number of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate is 20443-03-2.
What is the molecular formula of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate?
The molecular formula of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate is C9H9NO5.
What is the molecular weight of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate?
The molecular weight of Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate is 211.05 g/mol.
Where can I buy Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate?
You can request a quote for Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.