6-((3-(4-Bromophenyl)-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 1223903-71-6
| CAS No. | 1223903-71-6 |
| Molecular Formula | C20H13BrFN7O2 |
| Molecular Weight | 482.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-((3-(4-Bromophenyl)-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 1223903-71-6), molecular formula C20H13BrFN7O2 and molecular weight 482.27 g/mol, is a CATO reference standard with documented purity and traceability.
6-((3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-fluorobenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (C20H13BrFN7O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C20H13BrFN7O2 |
| Molecular Weight | 482.27 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 7 |
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Recommended Standards
- 3-Chloro-2-(3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 477711-65-2)
- T003 (CAS 1414378-14-5)
- 5-[(3,4-Dichlorophenyl)sulfanyl]-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 303998-52-9)
- (2E)-1-{3-[(2,4-dichlorophenyl)methoxy]phenyl}-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-en-1-one (CAS 478040-02-7)
- Tert-butyl (Z)-(2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)ethyl)(methyl)carbamate (CAS 905990-90-1)
- 1-Cyclopentylpyrrole-2,5-dione (CAS 170866-05-4)
- 1-Cyclohexyl-N-(furan-2-ylmethyl)ethan-1-amine (CAS 1157239-73-0)
- (S)-2-amino-3-(tert-butoxy)propanamide (CAS 323587-47-9)
- 3-(2-(Aminomethyl)benzyl)-1,3-diazaspiro[4.5]Decane-2,4-dione (CAS 1016763-30-6)
- 1-Ethyl-N-isobutyl-4-methyl-1H-pyrazol-3-amine hydrochloride (CAS 1855948-72-9)
- (1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)methanol (CAS 1956310-87-4)
- 4-Methoxy-2-phenylpyrazolo[1,5-a]pyrazine-3-carbaldehyde (CAS 1710471-87-6)
- (3-Amino-4-tert-butylphenyl)carbamic acid tert-butyl ester (CAS 873055-92-6)
- Semaglutide impurity 194 (CAS CATO-C4X-2226194)
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