2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-((4-fluorophenyl)thio)acetate CAS 875445-74-2

Purity 97%+In StockPharmaceutical Standards
CAS No.875445-74-2
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-((4-fluorophenyl)thio)acetate CAS 875445-74-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 338.40 g/mol gives 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-((4-fluorophenyl)thio)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-((4-fluorophenyl)thio)acetate (CAS 875445-74-2) is a high-purity analytical reference standard with the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol.

The molecular framework of 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 2-((4-fluorophenyl)thio)acetate (C16H19FN2O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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