![METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE structure](/static/products/497/497246-35-2.png)
METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
TL;DR: METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE (CAS 497246-35-2) is a chemical compound with molecular formula C25H24FN3O4S and molecular weight 481.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 5-cyano-4-(2-fluorophenyl)-6-((2-(mesitylamino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C25H24FN3O4S |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 3.86064 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.14716 |
| Heavy Atoms | 34 |
| Complexity | 1211.902 |
Chemical Identifiers
| CAS Number | 497246-35-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N)C |
Product Overview
METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE (CAS 497246-35-2), with molecular formula C25H24FN3O4S and molecular weight 481.15 g/mol. IUPAC: methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
Property Insights of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
The XLogP value of 3.86064 indicates that METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]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 METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]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 METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE?
The CAS number of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE is 497246-35-2.
What is the molecular formula of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE?
The molecular formula of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE is C25H24FN3O4S.
What is the molecular weight of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE?
The molecular weight of METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE is 481.15 g/mol.
Where can I buy METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE?
You can request a quote for METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]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 METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-6-({[(2,4,6-TRIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.