6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide
TL;DR: 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide (CAS 848870-89-3) is a chemical compound with molecular formula C25H24N4O4S and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Also Known As: 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide, 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide, 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
| Molecular Formula | C25H24N4O4S |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 4.08402 |
| Topological Polar Surface Area | 127.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.15182 |
| Heavy Atoms | 34 |
| Complexity | 1300.8036 |
Chemical Identifiers
| CAS Number | 848870-89-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC(=C(C=C3)OC)OC)C#N)SCC(=O)N)C |
Product Overview
6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide (CAS 848870-89-3), with molecular formula C25H24N4O4S and molecular weight 476.15 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide.
Chemical Property Profile of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide
Property Insights of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide
The XLogP value of 4.08402 indicates that 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide. Following Lipinski's Rule of Five, 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide has 2 hydrogen bond donor(s) and 7 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 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide?
The CAS number of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide is 848870-89-3.
What is the molecular formula of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide?
The molecular formula of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide is C25H24N4O4S.
What is the molecular weight of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide?
The molecular weight of 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide is 476.15 g/mol.
Where can I buy 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide?
You can request a quote for 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-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 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(o-tolyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.