Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate
TL;DR: Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate (CAS 31718-05-5) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6-ethyl-2-oxo-1H-pyridine-4-carboxylate
Also Known As: ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate, ethyl 3-cyano-6-ethyl-2-oxo-1H-pyridine-4-carboxylate, 3-CYANO-6-ETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER, 6-ethyl-3-cyano-2-hydroxy-isonicotinic acid ethyl ester, ethyl3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 31718-05-5 |
|---|---|
| SMILES | CCC1=CC(=C(C(=O)N1)C#N)C(=O)OCC |
| InChIKey | NLZXUSXZGVQQLQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate (CAS 31718-05-5), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: ethyl 3-cyano-6-ethyl-2-oxo-1H-pyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate
Property Insights of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The CAS number of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate is 31718-05-5.
What is the molecular formula of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The molecular formula of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate is C11H12N2O3.
What is the molecular weight of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The molecular weight of Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate is 220.08 g/mol.
Where can I buy Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
You can request a quote for Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.