4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-N-[(1E)-(dimethylamino)methylidene]-1H-pyrrole-2-carboxamide CAS 339099-73-9
| CAS No. | 339099-73-9 |
| Molecular Formula | C17H16ClF3N4O2 |
| Molecular Weight | 400.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 400.78 g/mol gives 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-N-[(1E)-(dimethylamino)methylidene]-1H-pyrrole-2-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-N-[(1E)-(dimethylamino)methylidene]-1H-pyrrole-2-carboxamide (CAS 339099-73-9), molecular formula C17H16ClF3N4O2 and molecular weight 400.78 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-N-[(1E)-(dimethylamino)methylidene]-1H-pyrrole-2-carboxamide (C17H16ClF3N4O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 Formula | C17H16ClF3N4O2 |
| Molecular Weight | 400.78 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
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Recommended Standards
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- 3-Chlorosulfonyl-4-(2-hydroxy-phenyl)-5-trifluoro-methyl-thiophene-2-carboxylic acid methyl ester (CAS 1431555-15-5)
- Flomoxef Impurity 50 (CAS CATO-C4X-138250)
- 1-Bromo-2-(2-bromo-1-(pentyloxy)ethyl)benzene (CAS 1344038-53-4)
- 2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylbenzyl)sulfanyl]acrylamide (CAS 337922-08-4)
- 1-(2-Fluoro-4-methylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1340736-01-7)
- Di-but-2-ynyl-amine N-2-Butyn-1-yl-2-butyn-1-amine 53146-06-8 (CAS 53146-06-8)
- cis-2-Bromocyclohexan-1-ol (CAS 16536-57-5)
- 2-(3,3-Difluoroazetidin-1-yl)-5-(trifluoromethyl)pyridine 1707581-24-5 (CAS 1707581-24-5)
- 3-[2-(4-Methyl-piperidin-1-yl)-ethoxy]-benzoic acid hydrochloride (CAS 1185301-42-1)
- Dopamine Impurity (CAS 83442-18-6)
- 4-(4-Fluorophenyl)-6-hydroxy-2-phenylpyrimidine-5-carbonitrile (CAS 477853-95-5)
- Vialox Peptide(Pentapeptide-3) diacetate (CAS 725232-44-0)
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