Methyl (E)-5-(2-(4-((4-chlorophenyl)thio)-3-(2,6-dichlorophenyl)isoxazolo[4,5-c]pyridin-7-yl)vinyl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate CAS 338773-22-1
| CAS No. | 338773-22-1 |
| Molecular Formula | C31H16Cl5N3O4S |
| Molecular Weight | 703.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl (E)-5-(2-(4-((4-chlorophenyl)thio)-3-(2,6-dichlorophenyl)isoxazolo[4,5-c]pyridin-7-yl)vinyl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate (CAS 338773-22-1) is a high-purity analytical reference standard with the molecular formula C31H16Cl5N3O4S and a molecular weight of 703.81 g/mol.
Structurally, Methyl (E)-5-(2-(4-((4-chlorophenyl)thio)-3-(2,6-dichlorophenyl)isoxazolo[4,5-c]pyridin-7-yl)vinyl)-3-(2,6-dichlorophenyl)isoxazole-4-carboxylate (C31H16Cl5N3O4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 23.0, corresponding to approximately 23 ring(s) or double-bond equivalent(s). With a molecular weight of 703.81 g/mol, it falls into the high-molecular-weight range. 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.
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 | C31H16Cl5N3O4S |
| Molecular Weight | 703.81 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) | 23.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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