Isopropyl 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate CAS 676645-34-4

Purity 97%+In StockPharmaceutical Standards
CAS No.676645-34-4
Molecular FormulaC17H24N4O2S
Molecular Weight348.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Isopropyl 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate CAS 676645-34-4 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.

Isopropyl 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 676645-34-4), molecular formula C17H24N4O2S and molecular weight 348.46 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Isopropyl 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate (C17H24N4O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 348.46 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.

As a certified reference material (CRM), Isopropyl 2-((4-amino-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC17H24N4O2S
Molecular Weight348.46 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
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms4
Sulfur Atoms1

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