6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile
TL;DR: 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile (CAS 459155-63-6) is a chemical compound with molecular formula C22H19BrN2OS2 and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-2-(2-ethylsulfinylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
Also Known As: ChemDiv3_002856, BRD-A76337306-001-01-1, 6-(4-bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile, 6-(4-bromophenyl)-2-(2-ethylsulfinylethylsulfanyl)-4-phenylpyridine-3-carbonitrile, 6-(4-bromophenyl)-2-{[2-(ethylsulfinyl)ethyl]sulfanyl}-4-phenylpyridine-3-carbonitrile
| Molecular Formula | C22H19BrN2OS2 |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 5.91048 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0122 |
| Heavy Atoms | 28 |
| Complexity | 1015.2019 |
Chemical Identifiers
| CAS Number | 459155-63-6 |
|---|---|
| SMILES | CCS(=O)CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N |
Product Overview
6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile (CAS 459155-63-6), with molecular formula C22H19BrN2OS2 and molecular weight 470.01 g/mol. IUPAC: 6-(4-bromophenyl)-2-(2-ethylsulfinylethylsulfanyl)-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile
Property Insights of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile
The XLogP value of 5.91048 indicates that 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile 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 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile?
The CAS number of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile is 459155-63-6.
What is the molecular formula of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile?
The molecular formula of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile is C22H19BrN2OS2.
What is the molecular weight of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile?
The molecular weight of 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile is 470.01 g/mol.
Where can I buy 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile?
You can request a quote for 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Bromophenyl)-2-((2-(ethylsulfinyl)ethyl)thio)-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.