N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2,6-difluoro-N-(4-methoxyphenyl)benzamide CAS 956611-91-9
| CAS No. | 956611-91-9 |
| Molecular Formula | C20H15ClF5N3O2 |
| Molecular Weight | 459.80 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.
CATO supplies N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2,6-difluoro-N-(4-methoxyphenyl)benzamide (CAS 956611-91-9), a certified reference material (molecular formula C20H15ClF5N3O2, MW 459.80 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2,6-difluoro-N-(4-methoxyphenyl)benzamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 459.80 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H15ClF5N3O2 |
| Molecular Weight | 459.80 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related N Standards
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-[2-(1H-indol-3-yl)ethyl]benzamide (CAS 1022600-61-8)
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Recommended Standards
- 4-Bromo-5-(difluoromethyl)-2,3-diiodopyridine (CAS 1806892-46-5)
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- 2,3-Dibromopentane 5398-25-4 NSC-4601 NSC4601 Pentane,3-dibromo- (CAS 5398-25-4)
- 5-Methyl-2-((trifluoromethyl)sulfonyl)aniline (CAS 1466714-66-8)
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- tert-Butyl ((2S,4S,5R)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate (CAS 1414933-91-7)
- D-β-Asp15-Tirzepatide (CAS CATO-CPTD788930)
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