Ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate CAS 852375-24-7
| CAS No. | 852375-24-7 |
| Molecular Formula | C17H15FN4O3S |
| Molecular Weight | 374.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 374.39 g/mol gives Ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate (CAS 852375-24-7) is a high-purity analytical reference standard with the molecular formula C17H15FN4O3S and a molecular weight of 374.39 g/mol.
The molecular framework of Ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate (C17H15FN4O3S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), Ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate 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 | C17H15FN4O3S |
| Molecular Weight | 374.39 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 2-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylonitrile (CAS 861211-44-1)
- Ethyl 4-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate (CAS 852374-39-1)
- 7-(4-Fluorophenyl)-2-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 338403-72-8)
- (5-((4-Fluorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl cyclopropanecarboxylate (CAS 955966-46-8)
- N-(4-fluorophenyl)-3-tosyl-3-azabicyclo[3.1.0]Hexane-2-carboxamide (CAS 1101135-83-4)
- 2-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)-4,6-dimethylnicotinonitrile (CAS 478081-73-1)
- 5-((4-Fluorophenyl)thio)-1,3-diphenyl-1H-pyrazole-4-carbaldehyde (CAS 955964-28-0)
- 5-(4-Fluorophenyl)-7-(pentafluoroethyl)pyrazolo-[1,5-a]pyrimidine-2-carboxylic acid (CAS 676521-71-4)
Recommended Standards
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- BML-286 (CAS 294891-81-9)
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- 3-(1H-Purin-6-yl)propan-1-amine (CAS 734493-17-5)
- 1,2,3-Thiadiazole-4-carbonitrile (CAS 4100-24-7)
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- 5-(1-Aminoethyl)-1,3,4-thiadiazol-2-amine dihydrochloride (CAS 1241674-97-4)
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