2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile
TL;DR: 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile (CAS 299165-71-2) is a chemical compound with molecular formula C29H18N2O3S and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile, 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile, 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile, 2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
| Molecular Formula | C29H18N2O3S |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 6.36868 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.10382 |
| Heavy Atoms | 35 |
| Complexity | 1638.5829 |
Chemical Identifiers
| CAS Number | 299165-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5 |
Product Overview
2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile (CAS 299165-71-2), with molecular formula C29H18N2O3S and molecular weight 474.10 g/mol. IUPAC: 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile
Property Insights of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile
The XLogP value of 6.36868 indicates that 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile 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 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile 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 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The CAS number of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile is 299165-71-2.
What is the molecular formula of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular formula of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile is C29H18N2O3S.
What is the molecular weight of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular weight of 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile is 474.10 g/mol.
Where can I buy 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile?
You can request a quote for 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.