2-Fluoro-N-(3-(3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)benzamide CAS 891124-05-3
| CAS No. | 891124-05-3 |
| Molecular Formula | C22H14FN5OS |
| Molecular Weight | 415.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 415.44 g/mol gives 2-Fluoro-N-(3-(3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)benzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Fluoro-N-(3-(3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)benzamide (CAS 891124-05-3), molecular formula C22H14FN5OS and molecular weight 415.44 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Fluoro-N-(3-(3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)benzamide (C22H14FN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 415.44 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 | C22H14FN5OS |
| Molecular Weight | 415.44 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) | 18.0 |
| 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 Fluoro Standards
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Recommended Standards
- 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoic acid (CAS 861212-95-5)
- 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-5-carboxylic acid (CAS 2137514-33-9)
- 2-[4-(4-tert-Butylphenoxy)phenyl]-1,3-dioxoisoindoline-5-carboxylic acid (CAS 356087-74-6)
- 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-9-carboxylic acid (CAS 2137652-33-4)
- N-(4-Acetylphenyl)-5-chlorothiophene-2-carboxamide (CAS 391225-63-1)
- 66946-48-3 BEDT-TTF Bi[5,6-dihydro-1,3-dithiolo[4,5-b][1,4]-dithiine-2-ylidene] Bis(ethylenedithio)tetrathiafulvalene (CAS 66946-48-3)
- ethyl 2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate (CAS 107367-69-1)
- Verapamil EP Impurity D (HCl salt) (CAS 36770-75-9)
- (1-Cyclopentyl-2-methyl-1H-benzo[d]imidazol-5-yl)methanamine (CAS 1267326-55-5)
- Ginsenoyne D (CAS 138828-83-8)
- 1-(3-Fluoro-2-iodophenyl)propan-1-one (CAS 1261828-13-0)
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