6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625370-89-0) is a chemical compound with molecular formula C14H7F3N2O2S and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: AM-807/41462319, 6-(1,3-benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)nicotinonitrile, 6-(1,3-benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(benzo[d][1,3]dioxol-5-yl)-2-mercapto-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C14H7F3N2O2S |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 4.03037 |
| Topological Polar Surface Area | 58.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.01804 |
| Heavy Atoms | 22 |
| Complexity | 852.63226 |
Chemical Identifiers
| CAS Number | 625370-89-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=C(C(=S)N3)C#N)C(F)(F)F |
Product Overview
6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625370-89-0), with molecular formula C14H7F3N2O2S and molecular weight 324.02 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 4.03037 indicates that 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.04 Ų, 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 625370-89-0.
What is the molecular formula of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C14H7F3N2O2S.
What is the molecular weight of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 324.02 g/mol.
Where can I buy 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-Benzodioxol-5-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.