![methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate structure](/static/products/799/799820-22-7.png)
methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate
TL;DR: methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate (CAS 799820-22-7) is a chemical compound with molecular formula C25H22F3N3O5S and molecular weight 533.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate, methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C25H22F3N3O5S |
|---|---|
| Molecular Weight | 533.12 g/mol |
| LogP | 4.21378 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.1232 |
| Heavy Atoms | 37 |
| Complexity | 1255.454 |
Chemical Identifiers
| CAS Number | 799820-22-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)OC |
Product Overview
methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate (CAS 799820-22-7), with molecular formula C25H22F3N3O5S and molecular weight 533.12 g/mol. IUPAC: methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate
Property Insights of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate
The XLogP value of 4.21378 indicates that methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate?
The CAS number of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate is 799820-22-7.
What is the molecular formula of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate?
The molecular formula of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate is C25H22F3N3O5S.
What is the molecular weight of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate?
The molecular weight of methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate is 533.12 g/mol.
Where can I buy methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate?
You can request a quote for methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-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-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-6-[(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-3,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.