Methyl 2-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}benzoate CAS 478247-59-5
| CAS No. | 478247-59-5 |
| Molecular Formula | C20H16N4O2S2 |
| Molecular Weight | 408.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}benzoate (CAS 478247-59-5) is a high-purity analytical reference standard with the molecular formula C20H16N4O2S2 and a molecular weight of 408.50 g/mol.
Based on its molecular formula C20H16N4O2S2, Methyl 2-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}benzoate contains a steroid 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 408.50 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), Methyl 2-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}benzoate 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 | C20H16N4O2S2 |
| Molecular Weight | 408.50 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Methyl Standards
- 4-[2-(Methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CAS 339017-91-3)
- Ethyl 2-(methylsulfanyl)-4-[3-(thiophene-2-amido)phenoxy]pyrimidine-5-carboxylate (CAS 439111-28-1)
- 4-(Methylsulfanyl)-2-oxo-6-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile (CAS 478042-82-9)
- 3-(Methylsulfanyl)-4-phenyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole (CAS 956755-42-3)
- 4-[2-(Methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide (CAS 866137-35-1)
- Methyl 3-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}thiophene-2-carboxylate (CAS 478081-03-7)
- 4-(Methylsulfanyl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid (CAS 1008673-55-9)
- 446286-06-2 2-(Methylsulfanyl)-4-(tributylstannyl)-1,3-thiazole DTXSID00676709 (CAS 446286-06-2)
Recommended Standards
- LDN 27219 (CAS 312946-37-5)
- N-(4-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-43-4)
- 6-(4-Methylpiperazin-1-yl)-2'-phenyl-1H,3'H-2,5'-bibenzo[d]imidazole (CAS 23623-08-7)
- N-(Benzo[d]thiazol-2-yl)-2-((7-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetamide (CAS 921557-36-0)
- 3-Methoxy-N-(2-methylphenethyl)-1-propanamine (CAS 1040681-13-7)
- 4-(tert-Butyl)-3-cyclopropoxy-5-ethylpyridine (CAS 1243463-07-1)
- 2-Amino-6-methyl-8-propylpyrido[2,3-d]pyrimidin-4(8H)-one (CAS 786614-49-1)
- Methyl 6-(benzyloxy)-1H-indole-2-carboxylate (CAS 103781-89-1)
- Dimethyl 2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate (CAS 69985-67-7)
- Methyl 3-((4-methylphenyl)sulfonamido)thiophene-2-carboxylate (CAS 79128-72-6)
- (S)-(+)-2-Octanol (CAS 6169-06-8)
- Benzyl (R)-2-amino-3-(4-fluorophenyl)propanoate 4-methylbenzenesulfonate (CAS 874336-37-5)
- 2-Naphthaldehyde oxime (CAS 24091-02-9)
- [D-Ser8]-Semaglutide A (CAS CATO-C4X-2226116)
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