2-((4-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-difluorophenyl)acetamide CAS 869068-26-8
| CAS No. | 869068-26-8 |
| Molecular Formula | C11H9F2N5O2S |
| Molecular Weight | 313.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((4-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-difluorophenyl)acetamide (CAS 869068-26-8), molecular formula C11H9F2N5O2S and molecular weight 313.28 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((4-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-difluorophenyl)acetamide (C11H9F2N5O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 313.28 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.
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 | C11H9F2N5O2S |
| Molecular Weight | 313.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Amino Standards
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Recommended Standards
- 1-Morpholino-2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethan-1-one (CAS 478048-17-8)
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- 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl (2,6-dimethylphenyl)carbamate (CAS 477713-73-8)
- 2-(2,4-Difluoro-benzenesulfonylamino)-benzoic acid (CAS 327103-13-9)
- N-(2,4-Dichlorophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide (CAS 303093-26-7)
- cis-tert-butyl 3,4-dimethylpyrrolidine-1-carboxylate (CAS 2938996-81-5)
- 14-Amino-4,8,12,16,20,24-hexaoxaheptacosane-1,27-diyl diacetate (CAS 2733774-39-3)
- 9-Oxofolic Acid (CAS 39707-61-4)
- Methyl 2-(benzo[d][1,3]dioxole-5-carboxamido)benzoate (CAS 67848-13-9)
- 6-[(2-carbamoylethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CAS 1153045-18-1)
- (r)-2-Amino-2-(2-bromo-5-chlorophenyl)ethan-1-ol (CAS 1212811-04-5)
- Cefmetazole Impurity 11 (CAS 55817-29-3)
- Tacrolimus impurity 51 (CAS CATO-C4X-130051)
- Semaglutide Impurity 115 (CAS CATO-C4X-2226115)
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