![6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile structure](/static/products/6253/625369-56-4.webp)
6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile (CAS 625369-56-4) is a chemical compound with molecular formula C20H20F3N3S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-(1-adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile, AM-807/14147899, 6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(adamantan-1-yl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H20F3N3S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 5.44566 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.133 |
| Heavy Atoms | 27 |
| Complexity | 799.3053 |
Chemical Identifiers
| CAS Number | 625369-56-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)(F)F)C#N)SCCC#N |
Product Overview
6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile (CAS 625369-56-4), with molecular formula C20H20F3N3S and molecular weight 391.13 g/mol. IUPAC: 6-(1-adamantyl)-2-(2-cyanoethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 5.44566 indicates that 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile. Following Lipinski's Rule of Five, 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)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 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is 625369-56-4.
What is the molecular formula of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is C20H20F3N3S.
What is the molecular weight of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile is 391.13 g/mol.
Where can I buy 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Adamantyl)-2-[(2-cyanoethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.