2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile
TL;DR: 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile (CAS 332128-08-2) is a chemical compound with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
Also Known As: BAS 01157628, 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile, 2-[2-(4-Nitro-phenyl)-2-oxo-ethylsulfanyl]-6-phenyl-4-p-tolyl-nicotinonitrile, 4-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C27H19N3O3S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 6.4789 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.11472 |
| Heavy Atoms | 34 |
| Complexity | 1394.4868 |
Chemical Identifiers
| CAS Number | 332128-08-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile (CAS 332128-08-2), with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol. IUPAC: 4-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile
Property Insights of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile
The XLogP value of 6.4789 indicates that 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)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 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile?
The CAS number of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile is 332128-08-2.
What is the molecular formula of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile?
The molecular formula of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile is C27H19N3O3S.
What is the molecular weight of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile?
The molecular weight of 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile is 465.11 g/mol.
Where can I buy 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile?
You can request a quote for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-Nitrophenyl)-2-oxoethyl)thio)-6-phenyl-4-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.