8(p-​Sulfophenyl)​theophylline CAS 80206-91-3

Description

Compared with other compounds in its class, the molecular weight of 336.32 g/mol gives 8(p-​Sulfophenyl)​theophylline distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

8(p-​Sulfophenyl)​theophylline (CAS 80206-91-3), molecular formula C13H12N4O5S and molecular weight 336.32 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 8(p-​Sulfophenyl)​theophylline (C13H12N4O5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 336.32 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.

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.

As a certified reference material (CRM), 8(p-​Sulfophenyl)​theophylline 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

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