3-(2-Chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methylisoxazole-4-carboxamide CAS 1023494-62-3
| CAS No. | 1023494-62-3 |
| Molecular Formula | C18H18ClFN2O2 |
| Molecular Weight | 348.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(2-Chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methylisoxazole-4-carboxamide is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(2-Chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methylisoxazole-4-carboxamide (CAS 1023494-62-3), molecular formula C18H18ClFN2O2 and molecular weight 348.80 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H18ClFN2O2, 3-(2-Chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methylisoxazole-4-carboxamide 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 348.80 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.
As a certified reference material (CRM), 3-(2-Chloro-6-fluorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methylisoxazole-4-carboxamide 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 | C18H18ClFN2O2 |
| Molecular Weight | 348.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
- 8-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2,2-dimethyl-1,4,8-triazaspiro[4.5]Decane (CAS 338761-58-3)
- 5-(2-Amino-6-(4-chlorophenyl)pyrimidin-4-yl)quinolin-8-ol (CAS 833488-13-4)
- 4-Chloro-5-(3,5-diphenyl-1H-pyrazol-1-yl)pyridazin-3(2H)-one (CAS 94375-42-5)
- 1,4-Diamino-2-chloro-3-((2-hydroxyethyl)thio)anthracene-9,10-dione (CAS 58065-21-7)
- 3-((Tert-butoxycarbonyl)(methyl)amino)-2-(3-methoxybenzyl)propanoic acid (CAS 886364-83-6)
- (2-Fluoro-5-(thiomorpholinomethyl)pyridin-3-yl)boronic acid (CAS 1253574-81-0)
- 4-(4-Hydroxy-1-methylpiperidin-4-yl)phenylboronic acid (CAS 2377610-00-7)
- N-(2-Methyl-1,3-dioxoisoindolin-4-yl)benzamide (CAS 139262-00-3)
- 2-Bromo-1-isobutoxy-4-nitrobenzene (CAS 288251-95-6)
- 1-(4-(6-Ethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)pentan-1-one (CAS 897470-72-3)
- 2,4-Dibromo-5-(trifluoromethyl)pyrimidine (CAS 1214323-81-5)
- 3-(Cyclohexylmethyl)-8,9-dimethoxy-5-{[(3-methoxyphenyl)methyl]sulfanyl}-2H,3H-imidazo[1,2-c]quinazolin-2-one (CAS 1031703-54-4)
- Tert-butyl 4-cyclopropylisoindoline-2-carboxylate (CAS 1243164-92-2)
- Semaglutide impurity 51 (CAS CATO-C4X-222651)
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