Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate (CAS 113858-92-7) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-cyano-2-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: Maybridge4_004571, ethyl 5-cyano-6-mercapto-2-phenylnicotinate, 11K-378S, Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate, ethyl 5-cyano-2-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C15H12N2O2S |
| Molecular Weight | 284.06195 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.06195 Da |
| Heavy Atoms | 20 |
| Complexity | 533.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)C(=C1)C#N)C2=CC=CC=C2 |
| InChIKey | QOLNBYNAHJUQKG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-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
What is the CAS number of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is 113858-92-7.
What is the molecular formula of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is C15H12N2O2S.
What is the molecular weight of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate is 284.06195 g/mol.
Where can I buy Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-2-phenyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.