5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide (CAS 442556-72-1) is a chemical compound with molecular formula C27H23FN4O4S and molecular weight 518.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide, F1154-0408, 5-CYANO-6-({[(4-FLUOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(FURAN-2-YL)-N-(2-METHOXYPHENYL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE, 5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H23FN4O4S |
|---|---|
| Molecular Weight | 518.14 g/mol |
| LogP | 5.13388 |
| Topological Polar Surface Area | 116.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1424 |
| Heavy Atoms | 37 |
| Complexity | 1408.9127 |
Chemical Identifiers
| CAS Number | 442556-72-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC |
Product Overview
5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide (CAS 442556-72-1), with molecular formula C27H23FN4O4S and molecular weight 518.14 g/mol. IUPAC: 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
The XLogP value of 5.13388 indicates that 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide has 3 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 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is 442556-72-1.
What is the molecular formula of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is C27H23FN4O4S.
What is the molecular weight of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide is 518.14 g/mol.
Where can I buy 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-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-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-6-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.