2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile
TL;DR: 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile (CAS 371137-55-2) is a chemical compound with molecular formula C29H22N2OS and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)-2-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)sulfanyl]-4-phenylpyridine-3-carbonitrile
Also Known As: 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile, 6-(4-methylphenyl)-2-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]-4-phenylpyridine-3-carbonitrile, 6-(4-methylphenyl)-2-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)sulfanyl]-4-phenylpyridine-3-carbonitrile
| Molecular Formula | C29H22N2OS |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 6.8855 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1453 |
| Heavy Atoms | 33 |
| Complexity | 1371.3949 |
Chemical Identifiers
| CAS Number | 371137-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC4CCC5=CC=CC=C5C4=O |
Product Overview
2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile (CAS 371137-55-2), with molecular formula C29H22N2OS and molecular weight 446.15 g/mol. IUPAC: 6-(4-methylphenyl)-2-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)sulfanyl]-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile
Property Insights of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile
The XLogP value of 6.8855 indicates that 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile?
The CAS number of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile is 371137-55-2.
What is the molecular formula of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile?
The molecular formula of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile is C29H22N2OS.
What is the molecular weight of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile?
The molecular weight of 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile is 446.15 g/mol.
Where can I buy 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile?
You can request a quote for 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(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-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)thio)-4-phenyl-6-(p-tolyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.