5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile
TL;DR: 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile (CAS 313531-18-9) is a chemical compound with molecular formula C26H20N2O3S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4,6-dimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3-carbonitrile
Also Known As: 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile, 5-benzyl-4,6-dimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3-carbonitrile
| Molecular Formula | C26H20N2O3S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 5.24232 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.11948 |
| Heavy Atoms | 32 |
| Complexity | 1419.1993 |
Chemical Identifiers
| CAS Number | 313531-18-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C)CC4=CC=CC=C4 |
Product Overview
5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile (CAS 313531-18-9), with molecular formula C26H20N2O3S and molecular weight 440.12 g/mol. IUPAC: 5-benzyl-4,6-dimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile
Property Insights of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile
The XLogP value of 5.24232 indicates that 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile. Following Lipinski's Rule of Five, 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile has 0 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-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile?
The CAS number of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile is 313531-18-9.
What is the molecular formula of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile?
The molecular formula of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile is C26H20N2O3S.
What is the molecular weight of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile?
The molecular weight of 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile is 440.12 g/mol.
Where can I buy 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile?
You can request a quote for 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-4,6-dimethyl-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.