6-((3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 1040639-91-5
| CAS No. | 1040639-91-5 |
| Molecular Formula | C22H18FN7O4 |
| Molecular Weight | 463.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 463.42 g/mol gives 6-((3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-((3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040639-91-5), molecular formula C22H18FN7O4 and molecular weight 463.42 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 6-((3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 463.42 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
CATO manufactures 6-((3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C22H18FN7O4 |
| Molecular Weight | 463.42 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
Related Dimethoxyphenyl Standards
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