2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 618427-87-5
| CAS No. | 618427-87-5 |
| Molecular Formula | C21H20N2O4S2 |
| Molecular Weight | 428.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 428.52 g/mol gives 2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-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-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 618427-87-5), molecular formula C21H20N2O4S2 and molecular weight 428.52 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C21H20N2O4S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 428.52 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-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.
Physical & Chemical Properties
| Molecular Formula | C21H20N2O4S2 |
| Molecular Weight | 428.52 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.) | 1985 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Benzo Standards
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Recommended Standards
- 11-(2-(2,6-Dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)undecanoic acid (CAS 2499815-05-1)
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- 1,4-Diamino-2-(4-(heptyloxy)phenyl)anthracene-9,10-dione (CAS 92135-76-7)
- 4-PEntenyl 3,6-di-o-benzyl-alpha-d-mannopyranoside (CAS 946075-87-2)
- 4-Amino-N-((1-ethylpyrrolidin-2-yl)methyl)-2-methoxy-5-sulfamoylbenzamide (CAS 93838-91-6)
- 2,3-Dimethoxy-1,4-Dioxane (CAS 23918-30-1)
- 1-Ethyl-5-(4-methoxyphenyl)-1h-imidazole-2-thiol (CAS 919011-59-9)
- N-(2-chloro-4-fluorophenyl)-2-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4-yl)oxy)acetamide (CAS 1251551-06-0)
- 2-Cyclopropoxy-5-(methylamino)benzoic acid (CAS 1243319-59-6)
- 3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 687580-05-8)
- 4-Bromo-2-chloro-6-methylpyridine (CAS 1206250-53-4)
- 5-Bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (CAS 2090283-06-8)
- Apixaban Impurity 155 (CAS 1928718-22-2)
- [Tyr0] Fibrinopeptide A, human (CAS 103226-11-5)
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