7-(1,1-Dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one CAS 554438-86-7

Purity 97%+In StockPharmaceutical Standards
CAS No.554438-86-7
Molecular FormulaC23H27FN2OS2
Molecular Weight430.60 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

7-(1,1-Dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one CAS 554438-86-7 chemical structure

Description

As a certified reference material (CRM), 7-(1,1-Dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one 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.

7-(1,1-Dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 554438-86-7) is a high-purity analytical reference standard with the molecular formula C23H27FN2OS2 and a molecular weight of 430.60 g/mol.

Based on its molecular formula C23H27FN2OS2, 7-(1,1-Dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 430.60 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

Physical & Chemical Properties

Molecular FormulaC23H27FN2OS2
Molecular Weight430.60 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms2

Related Dimethylpropyl Standards

Recommended Standards

Why CATO?