5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide
TL;DR: 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide (CAS 844663-47-4) is a chemical compound with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Also Known As: VU0508728-1, 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide, 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylsulfanyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide, F3086-0011, 5-cyano-4-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
| Molecular Formula | C25H25N3O3S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 5.61862 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.16165 |
| Heavy Atoms | 32 |
| Complexity | 1201.767 |
Chemical Identifiers
| CAS Number | 844663-47-4 |
|---|---|
| SMILES | CCSC1=NC(=C(C(=C1C#N)C2=CC(=C(C=C2)OC)OC)C(=O)NC3=CC=CC=C3C)C |
Product Overview
5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide (CAS 844663-47-4), with molecular formula C25H25N3O3S and molecular weight 447.16 g/mol. IUPAC: 5-cyano-4-(3,4-dimethoxyphenyl)-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide
Property Insights of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide
The XLogP value of 5.61862 indicates that 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide. Following Lipinski's Rule of Five, 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide has 1 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-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide?
The CAS number of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide is 844663-47-4.
What is the molecular formula of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide?
The molecular formula of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide is C25H25N3O3S.
What is the molecular weight of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide?
The molecular weight of 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide is 447.16 g/mol.
Where can I buy 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide?
You can request a quote for 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide 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-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylthio)-2-methyl-N-(o-tolyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.