4-[(4-Fluorophenyl)methyl]-3-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 1775378-78-3
| CAS No. | 1775378-78-3 |
| Molecular Formula | C22H20F4N4O2 |
| Molecular Weight | 448.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-[(4-Fluorophenyl)methyl]-3-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (C22H20F4N4O2) is characterized by a steroid core, an amide 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.
4-[(4-Fluorophenyl)methyl]-3-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775378-78-3) is a high-purity analytical reference standard with the molecular formula C22H20F4N4O2 and a molecular weight of 448.41 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C22H20F4N4O2 |
| Molecular Weight | 448.41 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Fluorophenyl Standards
- 4-[(4-Fluorophenyl)methyl]-3-{1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775311-20-0)
- 2-((4-Fluorophenyl)sulfonamido)-4-methyl-N-(4-(trifluoromethoxy)phenyl)pentanamide (CAS 317377-94-9)
- 2,5-Bis(4-Fluorophenyl)-3,6-Diphenyl-1,4-Benzoquinone (CAS 22030-92-8)
- 2,6-Bis(4-Fluorophenyl)-3,5-Diphenyl-1,4-Benzoquinone (CAS 22030-93-9)
- 4-(3-(2-((4-Fluorophenyl)sulfonamido)thiazol-4-yl)propanamido)benzamide (CAS 1040667-94-4)
- 3-(2-(4-(4-Fluorophenyl)piperazin-1-yl)-2-oxoethyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one (CAS 1105235-10-6)
- Ethyl 3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 932303-64-5)
- 4-[(2-Fluorophenyl)methyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-2-thiomorpholinecarboxamide (CAS 1361482-20-3)
Recommended Standards
- Elzasonan (CAS 361343-19-3)
- 4-Hydroxydianthra[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide (CAS 1564249-16-6)
- Quinacillin (CAS 76788-82-4)
- (S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide (CAS 155512-49-5)
- 1-(2,3-Dihydro-1H-inden-5-yl)-4-(4-propylphenoxy)phthalazine (CAS 866145-40-6)
- n-(3-Phenylpropyl)furan-2-carboxamide (CAS 545340-10-1)
- 1-(5-Chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CAS 351493-11-3)
- 2-Chloro-6-fluorobenzonitrile (CAS 668-45-1)
- 1-(2-(1h-Pyrazol-1-yl)ethyl)-1h-1,2,4-triazol-3-amine (CAS 1251130-49-0)
- 1-(Cyclohexylmethyl)-1h-pyrrole-2-carboxylic acid (CAS 1000934-13-3)
- rel-Ethyl (3aR,6aS)-1-benzylhexahydrocyclopenta[b]pyrrole-3a(1H)-carboxylate (CAS 2206112-25-4)
- 4-Amino-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CAS 1638760-58-3)
- 1,3,5-Triphenylformazan (CAS 531-52-2)
- Tetrapeptide-3 (CAS 827306-97-8)
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