2-((2,5-Dimethylbenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 477328-99-7
| CAS No. | 477328-99-7 |
| Molecular Formula | C26H26N2O2S2 |
| Molecular Weight | 462.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 462.63 g/mol gives 2-((2,5-Dimethylbenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((2,5-Dimethylbenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477328-99-7), molecular formula C26H26N2O2S2 and molecular weight 462.63 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((2,5-Dimethylbenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C26H26N2O2S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C26H26N2O2S2 |
| Molecular Weight | 462.63 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 | 2 |
| Sulfur Atoms | 2 |
Related Dimethylbenzyl Standards
- 2-((2,5-Dimethylbenzyl)thio)-6,7-dimethoxy-3-octylquinazolin-4(3H)-imine (CAS 860789-66-8)
- [5-(3,4-Dimethylbenzyl)-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl](3-hydroxy-1-piperidinyl)methanone (CAS 1069971-00-1)
- 2-((2,5-Dimethylbenzyl)thio)-4-(2-fluorophenyl)-1,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one (CAS 439095-13-3)
- 2-((2,5-Dimethylbenzyl)thio)-6,7-dimethoxy-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine (CAS 691868-85-6)
- 5-((2,5-Dimethylbenzyl)thio)-2-ethyl-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazoline (CAS 860650-31-3)
- 4,4＇-Bis(α,α-dimethylbenzyl)diphenylamine (CAS 10081-67-1)
- 3-(5-((2,5-Dimethylbenzyl)thio)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 946205-88-5)
- 2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)thioureido)propyl pivalate (CAS 565448-40-0)
Recommended Standards
- Siponimod impurity 25 (CAS 800380-45-4)
- 3-(4-Ethoxyphenyl)-2-((4-methylbenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 499125-44-9)
- 3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)-N-tritylpropan-1-amine 927888-44-6 (CAS 927888-44-6)
- 6,6′-Bis[1-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-1-methylethyl]-2,2′-bipyridine (CAS 455318-01-1)
- 1-(3-Isopropylphenyl)butan-1-one (CAS 1314978-32-9)
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-((trifluoromethyl)thio)pyridin-2-amine (CAS 1637399-41-7)
- 4-(2-Bromoallyl)-2-chloro-1-fluorobenzene (CAS 842140-28-7)
- (3S,4S)-1-Benzyl-4-[(tert-butyldimethylsilyl)oxy]pyrrolidin-3-ol (CAS 201601-50-5)
- Ethyl 3-amino-2,2-dimethylpropanoate (CAS 59193-77-0)
- N-Isopropyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CAS 1621520-78-2)
- Varenicline Impurity 44 (CAS CATO-C4X-196244)
- Ethyl 3,5-dimethylisoxazole-4-carboxylate (CAS 17147-42-1)
- N-(4-Methylbenzyl)-2-(methylthio)nicotinamide (CAS 794563-94-3)
- Mitogenic Pentapeptide (CAS 87173-03-3)
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