![5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide structure](/static/products/799/799771-76-9.png)
5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide (CAS 799771-76-9) is a chemical compound with molecular formula C29H27FN4O3S and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-6-((2-(mesitylamino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C29H27FN4O3S |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 6.05054 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1788 |
| Heavy Atoms | 38 |
| Complexity | 1479.2062 |
Chemical Identifiers
| CAS Number | 799771-76-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3F)C4=CC=CO4)C#N)C |
Product Overview
5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide (CAS 799771-76-9), with molecular formula C29H27FN4O3S and molecular weight 530.18 g/mol. IUPAC: 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide
The XLogP value of 6.05054 indicates that 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide is 799771-76-9.
What is the molecular formula of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide is C29H27FN4O3S.
What is the molecular weight of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide is 530.18 g/mol.
Where can I buy 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.