3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole CAS 648859-80-7

Purity 97%+In StockPharmaceutical Standards
CAS No.648859-80-7
Molecular FormulaC19H18ClF3N4O
Molecular Weight410.82 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole CAS 648859-80-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 410.82 g/mol gives 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole (CAS 648859-80-7), molecular formula C19H18ClF3N4O and molecular weight 410.82 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole (C19H18ClF3N4O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 410.82 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC19H18ClF3N4O
Molecular Weight410.82 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms4

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