2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile
TL;DR: 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile (CAS 94360-91-5) is a chemical compound with molecular formula C26H17ClN2OS and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile
Also Known As: BAS 01157446, 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile, A0688/0032066, 2-[2-(4-Chloro-phenyl)-2-oxo-ethylsulfanyl]-4,6-diphenyl-nicotinonitrile, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
| Molecular Formula | C26H17ClN2OS |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 6.91568 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.075 |
| Heavy Atoms | 31 |
| Complexity | 1250.5879 |
Chemical Identifiers
| CAS Number | 94360-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile (CAS 94360-91-5), with molecular formula C26H17ClN2OS and molecular weight 440.07 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile
Property Insights of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile
The XLogP value of 6.91568 indicates that 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile 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-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile 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-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile?
The CAS number of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile is 94360-91-5.
What is the molecular formula of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular formula of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile is C26H17ClN2OS.
What is the molecular weight of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile?
The molecular weight of 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile is 440.07 g/mol.
Where can I buy 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile?
You can request a quote for 2-((2-(4-Chlorophenyl)-2-oxoethyl)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-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.