allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799770-28-8) is a chemical compound with molecular formula C23H20N4O6S and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H20N4O6S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 3.98488 |
| Topological Polar Surface Area | 147.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.11035 |
| Heavy Atoms | 34 |
| Complexity | 1209.0851 |
Chemical Identifiers
| CAS Number | 799770-28-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799770-28-8), with molecular formula C23H20N4O6S and molecular weight 480.11 g/mol. IUPAC: prop-2-enyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.98488 indicates that allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.5 Ų indicates high polarity, suggesting allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 9 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 allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 799770-28-8.
What is the molecular formula of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is C23H20N4O6S.
What is the molecular weight of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 480.11 g/mol.
Where can I buy allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-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 allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.