5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide
TL;DR: 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide (CAS 847038-61-3) is a chemical compound with molecular formula C25H19N3O4S and molecular weight 457.11 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-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide
Also Known As: 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide, 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide, 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide
| Molecular Formula | C25H19N3O4S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.10962 |
| Heavy Atoms | 33 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 847038-61-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)NCC4=CC=CO4 |
| InChIKey | JIABFYTVMURUGS-UHFFFAOYSA-N |
Product Overview
5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide (CAS 847038-61-3), with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol. IUPAC: 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-phenacylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide
Property Insights of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide
The XLogP value of 3.8 indicates that 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide. Following Lipinski's Rule of Five, 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide has 1 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 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide?
The CAS number of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide is 847038-61-3.
What is the molecular formula of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide?
The molecular formula of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide is C25H19N3O4S.
What is the molecular weight of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide?
The molecular weight of 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide is 457.11 g/mol.
Where can I buy 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide?
You can request a quote for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)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-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-4-(furan-2-yl)-N-(furan-2-ylmethyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.