Methyl (E)-7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3-hydroxy-5-oxohept-6-enoate CAS 93957-52-9
| CAS No. | 93957-52-9 |
| Molecular Formula | C25H26FNO4 |
| Molecular Weight | 423.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies Methyl (E)-7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3-hydroxy-5-oxohept-6-enoate (CAS 93957-52-9), a certified reference material (molecular formula C25H26FNO4, MW 423.48 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl (E)-7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3-hydroxy-5-oxohept-6-enoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 423.48 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 Formula | C25H26FNO4 |
| Molecular Weight | 423.48 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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- Pancreatic Polypeptide (31-36), amide, human (CAS 74012-13-8)
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