3-(6-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl)pentanenitrile 2,2,2-trifluoroacetate CAS 1956365-71-1
| CAS No. | 1956365-71-1 |
| Molecular Formula | C21H20N6 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(6-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl)pentanenitrile 2,2,2-trifluoroacetate (CAS 1956365-71-1) is a high-purity analytical reference standard with the molecular formula C21H20N6C2HF3O2 and a molecular weight of 470.45 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-(6-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl)pentanenitrile 2,2,2-trifluoroacetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 470.45 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).
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 | C21H20N6 C2HF3O2 |
| Molecular Weight | 470.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
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