Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate
TL;DR: Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate (CAS 121017-78-5) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
Also Known As: Bionet2_000772, ETHYL 5-CYANO-6-HYDROXY-2-PHENYLNICOTINATE, ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate, ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate, 11K-377S
Technical Specifications
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.08478 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.08478 Da |
| Heavy Atoms | 20 |
| Complexity | 531.0 |
| SMILES | CCOC(=O)C1=C(NC(=O)C(=C1)C#N)C2=CC=CC=C2 |
| InChIKey | QTDJAMGJLOJKCG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate
Property Insights of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate 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
What is the CAS number of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate?
The CAS number of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate is 121017-78-5.
What is the molecular formula of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate?
The molecular formula of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate is C15H12N2O3.
What is the molecular weight of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate?
The molecular weight of Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate is 268.08478 g/mol.
Where can I buy Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate?
You can request a quote for Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-6-oxo-2-phenyl-1,6-dihydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.