| CAS No. | 338775-13-6 |
| Molecular Formula | C23H13ClF3N5OS |
| Molecular Weight | 499.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
CATO supplies 3-Chloro-2-{[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine (CAS 338775-13-6), a certified reference material (molecular formula C23H13ClF3N5OS, MW 499.90 g/mol) for analytical method development and quality control.
Based on its molecular formula C23H13ClF3N5OS, 3-Chloro-2-{[7-(4-phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 499.90 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
| Molecular Formula | C23H13ClF3N5OS |
| Molecular Weight | 499.90 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 18.0 |
| 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 |