2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide CAS 477329-06-9
| CAS No. | 477329-06-9 |
| Molecular Formula | C22H18BrN5O2S |
| Molecular Weight | 496.38 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.
2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 477329-06-9) is a high-purity analytical reference standard with the molecular formula C22H18BrN5O2S and a molecular weight of 496.38 g/mol.
Structurally, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide (C22H18BrN5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 496.38 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C22H18BrN5O2S |
| Molecular Weight | 496.38 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 477330-19-1)
- 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 477329-23-0)
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