(1-(4-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)(3-(trifluoromethyl)phenyl)methanone CAS 860648-94-8

Purity 97%+In StockPharmaceutical Standards
CAS No.860648-94-8
Molecular FormulaC18H14F3N5O
Molecular Weight373.33 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1-(4-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)(3-(trifluoromethyl)phenyl)methanone CAS 860648-94-8 chemical structure

Description

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

(1-(4-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)(3-(trifluoromethyl)phenyl)methanone (CAS 860648-94-8), molecular formula C18H14F3N5O and molecular weight 373.33 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (1-(4-Methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1H-1,2,3-triazol-4-yl)(3-(trifluoromethyl)phenyl)methanone (C18H14F3N5O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 373.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC18H14F3N5O
Molecular Weight373.33 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms5

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