3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one CAS 400074-86-4

Purity 97%+In StockPharmaceutical Standards
CAS No.400074-86-4
Molecular FormulaC18H15F3N4OS
Molecular Weight392.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one CAS 400074-86-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 392.40 g/mol gives 3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one (CAS 400074-86-4), molecular formula C18H15F3N4OS and molecular weight 392.40 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one (C18H15F3N4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 392.40 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).

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.

CATO manufactures 3-[4-(Prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC18H15F3N4OS
Molecular Weight392.40 g/mol
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms1

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