5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide (CAS 684231-13-8) is a chemical compound with molecular formula C27H23N5O6S and molecular weight 545.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide, 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H23N5O6S |
|---|---|
| Molecular Weight | 545.14 g/mol |
| LogP | 4.90298 |
| Topological Polar Surface Area | 159.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.1369 |
| Heavy Atoms | 39 |
| Complexity | 1506.1146 |
Chemical Identifiers
| CAS Number | 684231-13-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC |
Product Overview
5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide (CAS 684231-13-8), with molecular formula C27H23N5O6S and molecular weight 545.14 g/mol. IUPAC: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide
The XLogP value of 4.90298 indicates that 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.53 Ų indicates high polarity, suggesting 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide has 3 hydrogen bond donor(s) and 9 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-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide is 684231-13-8.
What is the molecular formula of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide is C27H23N5O6S.
What is the molecular weight of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide is 545.14 g/mol.
Where can I buy 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-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-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.