![ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate structure](/static/products/799/799768-79-9.png)
ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 799768-79-9) is a chemical compound with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate, F1461-0024, ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-((2-oxo-2-(phenylamino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H20FN3O4S |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.32548 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.11584 |
| Heavy Atoms | 32 |
| Complexity | 1097.9204 |
Chemical Identifiers
| CAS Number | 799768-79-9 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3F |
Product Overview
ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 799768-79-9), with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol. IUPAC: ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 3.32548 indicates that ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate has 2 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 ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate is 799768-79-9.
What is the molecular formula of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate is C23H20FN3O4S.
What is the molecular weight of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate is 453.12 g/mol.
Where can I buy ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[(phenylcarbamoyl)methyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.