4'-((3-Fluorobenzyl)thio)-1'H-spiro[cyclohexane-1,2'-quinazoline] CAS 893787-27-4

Purity 97%+In StockPharmaceutical Standards
CAS No.893787-27-4
Molecular FormulaC20H21FN2S
Molecular Weight340.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4'-((3-Fluorobenzyl)thio)-1'H-spiro[cyclohexane-1,2'-quinazoline] CAS 893787-27-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4'-((3-Fluorobenzyl)thio)-1'H-spiro[cyclohexane-1,2'-quinazoline].

CATO supplies 4'-((3-Fluorobenzyl)thio)-1'H-spiro[cyclohexane-1,2'-quinazoline] (CAS 893787-27-4), a certified reference material (molecular formula C20H21FN2S, MW 340.46 g/mol) for analytical method development and quality control.

Structurally, 4'-((3-Fluorobenzyl)thio)-1'H-spiro[cyclohexane-1,2'-quinazoline] (C20H21FN2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 340.46 g/mol, it falls into the moderately-high-molecular-weight range. 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).

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 FormulaC20H21FN2S
Molecular Weight340.46 g/mol
Purity97%+
StorageStore at 2-8°C, 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.)1987
Halogen ContentF-containing
Nitrogen Atoms2
Sulfur Atoms1

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