2,2,2-Trifluoro-1-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one CAS 189501-17-5
| CAS No. | 189501-17-5 |
| Molecular Formula | C20H15F4NO3S |
| Molecular Weight | 425.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,2,2-Trifluoro-1-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,2,2-Trifluoro-1-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one (CAS 189501-17-5), molecular formula C20H15F4NO3S and molecular weight 425.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2,2,2-Trifluoro-1-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one (C20H15F4NO3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 425.40 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.
As a certified reference material (CRM), 2,2,2-Trifluoro-1-(1-(4-fluorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H15F4NO3S |
| Molecular Weight | 425.40 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2011 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 3-((Furan-2-ylmethyl)sulfonyl)-1-((4-(trifluoromethoxy)phenyl)sulfonyl)azetidine (CAS 1797020-84-8)
- (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol (CAS 906670-52-8)
- N-[2-(1H-Indol-3-yl)ethyl]-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzamide (CAS 1009922-28-4)
- (3E)-3-[(3-Methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)methylidene]-2,3-dihydro-1H-indol-2-one (CAS 455309-09-8)
- 1-[(3-Methoxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid (CAS 1006487-17-7)
- N-((1-((S)-2-Amino-3-methylbutanoyl)piperidin-3-yl)methyl)-N-cyclopropylacetamide (CAS 1354032-79-3)
- 1-(3,4-Difluorophenyl)prop-2-en-1-one (CAS 527694-01-5)
- 2-(Tetrahydrofuran-2-yl)piperidine (CAS 383128-88-9)
- 4-(Bromomethyl)-2-fluorothiophene (CAS 1400991-71-0)
- Propyl (3-hydroxyphenyl)carbamate (CAS 13683-91-5)
- 3,4-Dihydro-2H-1,5-benzodioxepin-7-thiol (CAS 786728-92-5)
- 6-Nitro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (CAS 118000-57-0)
- 3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate (CAS 5205-95-8)
- Tirzepatide Impurity 26 X TFA Salt (CAS CATO-C4X-324026)
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