(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate CAS 1286730-01-5
| CAS No. | 1286730-01-5 |
| Molecular Formula | C13H14F2N4OS |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 410.41 g/mol gives (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate (CAS 1286730-01-5), molecular formula C13H14F2N4OSH2O4S and molecular weight 410.41 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H14F2N4OSH2O4S, (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 410.41 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide sulfate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H14F2N4OS H2O4S |
| Molecular Weight | 410.41 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Recommended Standards
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- Methyl (R)-2-(4-chlorophenyl)-3-methylbutanoate (CAS 197018-23-8)
- 2-((1-Ethyl-3-methyl-1H-pyrazol-4-yl)methoxy)acetic acid (CAS 1006456-21-8)
- 4-(2-Fluorobenzoyl)-N-[(methoxyimino)methyl]-1H-pyrrole-2-carboxamide (CAS 338977-17-6)
- 5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid (CAS 1547031-69-5)
- 3-Chloro-5-cyclopropoxy-N-methylpicolinamide (CAS 1243377-34-5)
- 3-((4-Nitrophenyl)amino)-1H-indole-2-carbaldehyde (CAS 167954-14-5)
- 5-(1H-Imidazol-2-yl)thiophene-2-carboxylic acid (CAS 915922-58-6)
- (R)-2-(3-chlorophenyl)oxirane (CAS 62600-71-9)
- D-Asp9-Tirzepatide (CAS CATO-CPTD788923)
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