N-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbonothioyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide CAS 303150-16-5
| CAS No. | 303150-16-5 |
| Molecular Formula | C22H18Cl2F3N5O2S |
| Molecular Weight | 544.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbonothioyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbonothioyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 303150-16-5), a certified reference material (molecular formula C22H18Cl2F3N5O2S, MW 544.38 g/mol) for analytical method development and quality control.
Structurally, N-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbonothioyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide (C22H18Cl2F3N5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 544.38 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C22H18Cl2F3N5O2S |
| Molecular Weight | 544.38 g/mol |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related N Standards
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Recommended Standards
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- 4-Fluoro-2-methyl-3-nitropyridine (CAS 1806485-85-7)
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