N'-[(1E)-[4-(4-Fluorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene]thiophene-2-carbohydrazide CAS 866009-45-2

Purity 97%+In StockPharmaceutical Standards
CAS No.866009-45-2
Molecular FormulaC21H17FN4OS2
Molecular Weight424.51 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N'-[(1E)-[4-(4-Fluorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene]thiophene-2-carbohydrazide CAS 866009-45-2 chemical structure

Description

CATO supplies N'-[(1E)-[4-(4-Fluorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene]thiophene-2-carbohydrazide (CAS 866009-45-2), a certified reference material (molecular formula C21H17FN4OS2, MW 424.51 g/mol) for analytical method development and quality control.

Based on its molecular formula C21H17FN4OS2, N'-[(1E)-[4-(4-Fluorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene]thiophene-2-carbohydrazide 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 424.51 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC21H17FN4OS2
Molecular Weight424.51 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)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms2

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