6-((4-(4-Methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione CAS 852152-81-9
| CAS No. | 852152-81-9 |
| Molecular Formula | C21H24N6O4S |
| Molecular Weight | 456.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-((4-(4-Methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-((4-(4-Methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione (CAS 852152-81-9), molecular formula C21H24N6O4S and molecular weight 456.52 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H24N6O4S, 6-((4-(4-Methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 456.52 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 6-((4-(4-Methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione 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 | C21H24N6O4S |
| Molecular Weight | 456.52 g/mol |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-((5-((2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 852047-75-7)
- JW 74 (CAS 863405-60-1)
- 1-Benzyl-2-imino-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606950-50-9)
- Methyl 1-hydroxy-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate (CAS 1123532-65-9)
- 5-Bromo-N-(2,4-dichlorophenyl)nicotinamide (CAS 320742-29-8)
- 2-(3-Ethanesulfonyl-2,5-dimethyl-4-oxazol-2-yl-cyclohexa-1,5-dienecarbonyl)-3-hydroxy-cyclohex-2-enone (CAS 1231566-16-7)
- 4-Bromo-6-nitroquinoline (CAS 860195-53-5)
- (±)-MDEA-D5 [(±)-3,4-Methylenedioxyethylamphetamine-D5] (CAS 160227-43-0)
- PYCR1-IN-1 (CAS 709-85-3)
- 5-(Furan-2-yl)-4-(2-methylpropyl)-4h-1,2,4-triazole-3-thiol (CAS 438235-35-9)
- Tigecycline Impurity 10 (CAS CATO-C4X-186010)
- 1-(4-Methoxy-2-methylphenyl)ethanamine (CAS 603951-45-7)
- 2-(Isopropylamino)-6-(trifluoromethyl)nicotinic acid (CAS 1518578-58-9)
- Insulin Degludec Impurity 5 (CAS CATO-C4X-21575)
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