2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile
TL;DR: 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile (CAS 340813-66-3) is a chemical compound with molecular formula C28H21FN2O3S and molecular weight 484.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile, 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile, 2-{[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C28H21FN2O3S |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 6.41858 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.1257 |
| Heavy Atoms | 35 |
| Complexity | 1400.629 |
Chemical Identifiers
| CAS Number | 340813-66-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C#N)OC |
Product Overview
2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile (CAS 340813-66-3), with molecular formula C28H21FN2O3S and molecular weight 484.13 g/mol. IUPAC: 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile
Property Insights of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile
The XLogP value of 6.41858 indicates that 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile 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-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile?
The CAS number of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile is 340813-66-3.
What is the molecular formula of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile?
The molecular formula of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile is C28H21FN2O3S.
What is the molecular weight of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile?
The molecular weight of 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile is 484.13 g/mol.
Where can I buy 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile?
You can request a quote for 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(2,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.