2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide CAS 578698-76-7
| CAS No. | 578698-76-7 |
| Molecular Formula | C19H14F6N4OS2 |
| Molecular Weight | 492.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (CAS 578698-76-7), molecular formula C19H14F6N4OS2 and molecular weight 492.46 g/mol, is a CATO reference standard with documented purity and traceability.
2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (C19H14F6N4OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; 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 | C19H14F6N4OS2 |
| Molecular Weight | 492.46 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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- Globularin (CAS 1399-49-1)
- 4-Phenyl-6-((pyridin-3-ylmethyl)thio)pyrimidine (CAS 1203251-62-0)
- N-tert-butyl-4-(methylamino)benzamide hydrochloride (CAS 1909308-83-3)
- 3,3,6-Trimethylazepane hydrochloride (CAS 1795013-43-2)
- 4-((3-((4-Fluorobenzo[d]thiazol-2-yl)oxy)azetidin-1-yl)sulfonyl)-3,5-dimethylisoxazole (CAS 1396772-39-6)
- N-(1-Cyano-1-cyclopropylethyl)-2-((4-(p-tolyl)thiazol-2-yl)thio)acetamide (CAS 1012110-89-2)
- (6-(2-Oxopiperazin-1-yl)pyridin-3-yl)boronic acid (CAS 1951411-66-7)
- 5-Ethyl-1-propyl-1h-1,2,3-triazole-4-carboxylic acid (CAS 1251089-05-0)
- Azaperol-D4 (CAS CATO-CCAD304082)
- 7-Chloroisochromane-1,3-dione (CAS 58230-95-8)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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