2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile
TL;DR: 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile (CAS 499210-91-2) is a chemical compound with molecular formula C21H17FN2O2S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile, 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile, 2-{[2-(1,3-dioxolan-2-yl)ethyl]sulfanyl}-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C21H17FN2O2S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 5.34298 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.07153 |
| Heavy Atoms | 28 |
| Complexity | 978.8853 |
Chemical Identifiers
| CAS Number | 499210-91-2 |
|---|---|
| SMILES | C1COC(O1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N |
Product Overview
2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile (CAS 499210-91-2), with molecular formula C21H17FN2O2S2 and molecular weight 412.07 g/mol. IUPAC: 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile
Property Insights of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile
The XLogP value of 5.34298 indicates that 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-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 55.14 Ų, 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile 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-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile?
The CAS number of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile is 499210-91-2.
What is the molecular formula of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile?
The molecular formula of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile is C21H17FN2O2S2.
What is the molecular weight of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile?
The molecular weight of 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile is 412.07 g/mol.
Where can I buy 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile?
You can request a quote for 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-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 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(1,3-dioxolan-2-yl)ethyl)thio)-4-(4-fluorophenyl)-6-(thiophen-2-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.