Methyl 4-(((5-(((2,4-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate CAS 344274-34-6
| CAS No. | 344274-34-6 |
| Molecular Formula | C25H21Cl2N3O2S2 |
| Molecular Weight | 530.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 4-(((5-(((2,4-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 4-(((5-(((2,4-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate (CAS 344274-34-6) is a high-purity analytical reference standard with the molecular formula C25H21Cl2N3O2S2 and a molecular weight of 530.49 g/mol.
Methyl 4-(((5-(((2,4-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate (C25H21Cl2N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C25H21Cl2N3O2S2 |
| Molecular Weight | 530.49 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 | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Methyl Standards
- Methyl 4-(((5-(((2,6-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate (CAS 344271-48-3)
- Ethyl 2-(2-((2,6-dichlorobenzyl)sulfonyl)-4,5-diphenyl-1H-imidazol-1-yl)acetate (CAS 339277-42-8)
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Recommended Standards
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