5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide (CAS 846579-17-7) is a chemical compound with molecular formula C33H28N4O2S and molecular weight 544.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C33H28N4O2S |
|---|---|
| Molecular Weight | 544.19 g/mol |
| LogP | 6.8548 |
| Topological Polar Surface Area | 94.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.1933 |
| Heavy Atoms | 40 |
| Complexity | 1697.3809 |
Chemical Identifiers
| CAS Number | 846579-17-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=CC5=CC=CC=C54)C |
Product Overview
5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide (CAS 846579-17-7), with molecular formula C33H28N4O2S and molecular weight 544.19 g/mol. IUPAC: 5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide
The XLogP value of 6.8548 indicates that 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide has 3 hydrogen bond donor(s) and 5 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-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide is 846579-17-7.
What is the molecular formula of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide is C33H28N4O2S.
What is the molecular weight of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide is 544.19 g/mol.
Where can I buy 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-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-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.