3-(3-Chlorobenzyl)-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one CAS 1040639-16-4
| CAS No. | 1040639-16-4 |
| Molecular Formula | C22H18ClN7O4 |
| Molecular Weight | 479.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 3-(3-Chlorobenzyl)-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-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.
CATO supplies 3-(3-Chlorobenzyl)-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040639-16-4), a certified reference material (molecular formula C22H18ClN7O4, MW 479.88 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 3-(3-Chlorobenzyl)-6-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-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 479.88 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.
Physical & Chemical Properties
| Molecular Formula | C22H18ClN7O4 |
| Molecular Weight | 479.88 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 | Cl-containing |
| Nitrogen Atoms | 7 |
Related Chlorobenzyl Standards
- 3-(4-Chlorobenzyl)-6-((3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040653-07-3)
- 1-(4-Chlorobenzyl)-N-cyclododecyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide (CAS 923227-96-7)
- 3-(2-Chlorobenzyl)-9-((4-methoxybenzylidene)amino)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 938802-74-5)
- N-(4-Chlorobenzyl)-N-(4-nitrophenyl)-2-((3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)thio)acetamide (CAS 337488-65-0)
- 1-(3-Chlorobenzyl)-3-(5-((2,4-dichlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)pyridin-2(1H)-one (CAS 477852-94-1)
- 2-((2-Chlorobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-12-5)
- 2-((3-Chlorobenzyl)thio)-3-((2,4,6-trichlorophenyl)diazenyl)-1H-indole (CAS 478042-15-8)
- 2-(3-Chlorobenzyl)-6-(4-chlorophenyl)-4-(2,3-dichlorophenyl)-4,5-dihydropyridazin-3(2H)-one (CAS 344282-75-3)
Recommended Standards
- N-Hexadecylpalmitamide (CAS 7332-71-0)
- N-(2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyridin-3-yl)-4-fluorobenzamide (CAS 478262-13-4)
- Hexametaphosphoric acid (CAS 18694-07-0)
- 3-Chloro-2-(3-(1-(phenylsulfonyl)-1H-pyrazol-3-yl)phenoxy)-5-(trifluoromethyl)pyridine (CAS 321385-86-8)
- exo-3-azabicyclo[3.1.0]hexane-6-carboxamide hydrochloride (CAS 1638333-57-9)
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- 2-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide 2-[(4-chlorophenyl)thio]-N-(4-methoxyphenyl)propanamide 5730-78-9 A831384 (CAS 5730-78-9)
- N-(4-(sec-butyl)phenyl)acetamide (CAS 20331-25-3)
- 3-(4-(Pyridin-2-yl)piperazine-1-carboxamido)benzoic acid (CAS 1429902-85-1)
- H-β-Chloro-DL-Ala-OH · HCl (CAS 35401-46-8)
- (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((Z)-4-aminobut-2-en-1-yl)(methyl)amino)methyl)tetrahydrofuran-3,4-diol (CAS 123642-27-3)
- C20 Ceramide (CAS 7344-02-7)
- 7-Chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide (CAS 182128-53-6)
- Semaglutide impurity 62 (CAS CATO-C4X-222662)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com