2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile
TL;DR: 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile (CAS 371780-85-7) is a chemical compound with molecular formula C17H14Cl2N2OS and molecular weight 364.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
Also Known As: 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile, 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile, 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
| Molecular Formula | C17H14Cl2N2OS |
|---|---|
| Molecular Weight | 364.02 g/mol |
| LogP | 5.16034 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0204 |
| Heavy Atoms | 23 |
| Complexity | 828.31866 |
Chemical Identifiers
| CAS Number | 371780-85-7 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)C#N)C |
Product Overview
2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile (CAS 371780-85-7), with molecular formula C17H14Cl2N2OS and molecular weight 364.02 g/mol. IUPAC: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile
Property Insights of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile
The XLogP value of 5.16034 indicates that 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile 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-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile 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-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile?
The CAS number of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile is 371780-85-7.
What is the molecular formula of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile?
The molecular formula of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile is C17H14Cl2N2OS.
What is the molecular weight of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile?
The molecular weight of 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile is 364.02 g/mol.
Where can I buy 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile?
You can request a quote for 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4,5,6-trimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.