4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile
TL;DR: 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile (CAS 328071-81-4) is a chemical compound with molecular formula C27H23FN2S2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-tert-butylphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile, 4-(4-tert-butylphenyl)-2-[(4-fluorobenzyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile, 4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
| Molecular Formula | C27H23FN2S2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 8.07768 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.12866 |
| Heavy Atoms | 32 |
| Complexity | 1247.502 |
Chemical Identifiers
| CAS Number | 328071-81-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)F)C4=CC=CS4 |
Product Overview
4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile (CAS 328071-81-4), with molecular formula C27H23FN2S2 and molecular weight 458.13 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile
Property Insights of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile
The XLogP value of 8.07768 indicates that 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)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 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The CAS number of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile is 328071-81-4.
What is the molecular formula of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The molecular formula of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile is C27H23FN2S2.
What is the molecular weight of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
The molecular weight of 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile is 458.13 g/mol.
Where can I buy 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
You can request a quote for 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(tert-butyl)phenyl)-2-((4-fluorobenzyl)thio)-6-(thiophen-2-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.