3-[2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-1-[3-(trifluoromethyl)phenyl]urea CAS 339101-74-5
| CAS No. | 339101-74-5 |
| Molecular Formula | C24H16ClF6N5O3 |
| Molecular Weight | 571.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-[2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-1-[3-(trifluoromethyl)phenyl]urea (CAS 339101-74-5), molecular formula C24H16ClF6N5O3 and molecular weight 571.86 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C24H16ClF6N5O3, 3-[2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-1-[3-(trifluoromethyl)phenyl]urea contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 571.86 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C24H16ClF6N5O3 |
| Molecular Weight | 571.86 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related chloro Standards
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Recommended Standards
- Ezetimibe Impurity 78 (CAS CATO-C4X-109878)
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- (E)-7-[5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-5-hydroxy-3-oxo-6-heptenoic Acid Methyl Ester 124863-85-0 Methyl rac-(E)-7-[5-tert-Butyldimethylsilyloxymethyl-2,6-diisopropyl-4-(4-fluorophenyl)-3-pyridinyl]-5-hydroxy-3-oxo-6-heptenoate (CAS 124863-85-0)
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- 1-(4-Nitrophenyl)-5-(thiophen-2-yl)-1H-pyrazole (CAS 1269292-53-6)
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- 7-Isoquinolinecarboxaldehyde (CAS 87087-20-5)
- 1-(3-Hydroxyphenyl)-2,6-dimethylpyridin-4(1H)-one (CAS 823176-21-2)
- Avibactam Impurity 14 (CAS CATO-C4X-134814)
- [(3Z)-1-[(3,4-Dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 2,4-dichlorobenzoate (CAS 477853-35-3)
- 4-Bromo-2-(trifluoromethoxy)phenyl isocyanate (CAS 229957-06-6)
- Tirzepatide Impurity 38 (CAS CATO-C4X-324038)
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