5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one CAS 939888-55-8

Purity 97%+In StockPharmaceutical Standards
CAS No.939888-55-8
Molecular FormulaC22H12BrClN2O2S
Molecular Weight483.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one CAS 939888-55-8 chemical structure

Description

The occurrence of 5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (CAS 939888-55-8), molecular formula C22H12BrClN2O2S and molecular weight 483.76 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C22H12BrClN2O2S, 5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 483.76 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 5-Bromo-13-(4-chlorophenyl)-6-hydroxy-11-phenyl-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-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 FormulaC22H12BrClN2O2S
Molecular Weight483.76 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)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl/Br-containing
Nitrogen Atoms2
Sulfur Atoms1

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