12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2′′,3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde CAS 2599837-57-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2599837-57-5
Molecular FormulaC82H130N4O2S5
Molecular Weight1364.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2′′,3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde CAS 2599837-57-5 chemical structure

Description

The molecular framework of 12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2′′,3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde (C82H130N4O2S5) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2′′,3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde (CAS 2599837-57-5), molecular formula C82H130N4O2S5 and molecular weight 1364.26 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC82H130N4O2S5
Molecular Weight1364.26 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)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2001
Nitrogen Atoms4
Sulfur Atoms5

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