4-(4-(Benzyloxy)phenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860786-69-2
| CAS No. | 860786-69-2 |
| Molecular Formula | C23H20N4O4 |
| Molecular Weight | 416.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(4-(Benzyloxy)phenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-69-2) is a high-purity analytical reference standard with the molecular formula C23H20N4O4 and a molecular weight of 416.43 g/mol.
Structurally, 4-(4-(Benzyloxy)phenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C23H20N4O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 416.43 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.
Physical & Chemical Properties
| Molecular Formula | C23H20N4O4 |
| Molecular Weight | 416.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 445222-35-5)
- Lenalidomide-PEG2-C2-azide (CAS 2399455-48-0)
- 2-Amino-4-(3-(benzyloxy)-4-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 309278-46-4)
- N-(3-(1H-Imidazol-1-yl)propyl)-4-((4-fluorophenyl)sulfonyl)-2-(furan-2-yl)oxazol-5-amine (CAS 855714-91-9)
- 3-(Ethoxycarbonyl)-1-(4-ethylphenyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264045-13-7)
- 2-(6-Bromopyridazin-3-yl)propan-2-ol (CAS 1303968-01-5)
- 3-(Morpholinomethyl)-1H-indole-5-carboxylic acid (CAS 1081126-35-3)
- 2,7-Dichloropyrido[3,2-d]pyrimidine (CAS 1345955-98-7)
- tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (CAS 872054-15-4)
- 6-(2-Chlorophenyl)-2-(2,4-difluorophenoxy)nicotinonitrile (CAS 860784-62-9)
- 1-(5-Bromo-3-fluoro-2-hydroxyphenyl)ethan-1-one (CAS 1089706-28-4)
- 4-(4-Iodophenoxy)-1-isopropyl-1H-pyrazole (CAS 1713589-30-0)
- 3-(Benzenesulfonyl)-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CAS 338956-12-0)
- Insulin Degludec Impurity 14 (CAS CATO-C4X-215714)
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