| CAS No. | 840474-95-5 |
| Molecular Formula | C20H14FNO4S |
| Molecular Weight | 383.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-[1-(Benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one.
4-[1-(Benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one (CAS 840474-95-5), molecular formula C20H14FNO4S and molecular weight 383.39 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 4-[1-(Benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 383.39 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
| Molecular Formula | C20H14FNO4S |
| Molecular Weight | 383.39 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |