![2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/3163/316360-11-9.webp)
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 316360-11-9) is a chemical compound with molecular formula C25H23F3N2OS and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile, AE-848/32959022, 2-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile, 2-{[2-(ADAMANTAN-1-YL)-2-OXOETHYL]SULFANYL}-6-PHENYL-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
| Molecular Formula | C25H23F3N2OS |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 6.51668 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.14832 |
| Heavy Atoms | 32 |
| Complexity | 1055.5621 |
Chemical Identifiers
| CAS Number | 316360-11-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C(F)(F)F)C#N |
Product Overview
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 316360-11-9), with molecular formula C25H23F3N2OS and molecular weight 456.15 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 6.51668 indicates that 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-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 53.75 Ų, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 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 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 316360-11-9.
What is the molecular formula of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C25H23F3N2OS.
What is the molecular weight of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is 456.15 g/mol.
Where can I buy 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-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 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.