3-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione CAS 477859-31-7

Purity 97%+In StockPharmaceutical Standards
CAS No.477859-31-7
Molecular FormulaC23H11F3N2O3S2
Molecular Weight484.47 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione CAS 477859-31-7 chemical structure

Description

The occurrence of 3-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CAS 477859-31-7), molecular formula C23H11F3N2O3S2 and molecular weight 484.47 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 3-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 484.47 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

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 FormulaC23H11F3N2O3S2
Molecular Weight484.47 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)18.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms2

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