18,19-Dimethoxy-7-(thiophen-3-yl)-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one CAS 685107-13-5

Purity 97%+In StockPharmaceutical Standards
CAS No.685107-13-5
Molecular FormulaC23H20N4O3S
Molecular Weight432.49 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

18,19-Dimethoxy-7-(thiophen-3-yl)-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one CAS 685107-13-5 chemical structure

Description

18,19-Dimethoxy-7-(thiophen-3-yl)-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one (CAS 685107-13-5), molecular formula C23H20N4O3S and molecular weight 432.49 g/mol, is a CATO reference standard with documented purity and traceability.

18,19-Dimethoxy-7-(thiophen-3-yl)-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one (C23H20N4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC23H20N4O3S
Molecular Weight432.49 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
Degree of Unsaturation (DBE)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms4
Sulfur Atoms1

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