MK-8998


Chemical Name: MK-8998
CAS Number: 953778-58-0
Product Number: AG01EB1A(AG01EB1A)
Synonyms:
MDL No:
Molecular Formula: C20H23F3N2O2
Molecular Weight: 380.4040

Identification/Properties


Computed Properties
Molecular Weight:
380.411g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
380.171g/mol
Monoisotopic Mass:
380.171g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
463
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-(1-Methylethyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzeneacetamide, also known as $name$, is a valuable compound utilized in chemical synthesis as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and functional groups make it an essential building block for the synthesis of complex molecules with diverse applications in the field of medicinal chemistry.In chemical synthesis, $name$ serves as a versatile starting material for the construction of various biologically active compounds due to its ability to undergo selective chemical transformations. The presence of the benzene ring provides a stable scaffold for further derivatization, while the acetamide group offers opportunities for introducing additional functionalities through chemical reactions.Moreover, the combination of the 2-pyridinyl and trifluoroethoxy moieties in $name$ imparts specific electronic and steric properties that can be strategically leveraged in creating new chemical entities with enhanced pharmacological profiles. These features make $name$ a valuable tool for organic chemists and medicinal chemists to design and synthesize novel molecules with desirable properties for potential therapeutic or agricultural applications.