![6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/6253/625376-56-9.webp)
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625376-56-9) is a chemical compound with molecular formula C23H17F3N2O2S and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile, AM-807/41462104, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile, 6-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-phenylethyl)thio)-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C23H17F3N2O2S |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 6.26358 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09628 |
| Heavy Atoms | 31 |
| Complexity | 1144.0391 |
Chemical Identifiers
| CAS Number | 625376-56-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)C#N |
Product Overview
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625376-56-9), with molecular formula C23H17F3N2O2S and molecular weight 442.10 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 6.26358 indicates that 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)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 55.14 Ų, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile is 625376-56-9.
What is the molecular formula of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile is C23H17F3N2O2S.
What is the molecular weight of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile is 442.10 g/mol.
Where can I buy 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.