2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide CAS 618879-66-6
| CAS No. | 618879-66-6 |
| Molecular Formula | C21H23N3O2S2 |
| Molecular Weight | 413.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 413.56 g/mol gives 2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide (CAS 618879-66-6) is a high-purity analytical reference standard with the molecular formula C21H23N3O2S2 and a molecular weight of 413.56 g/mol.
Based on its molecular formula C21H23N3O2S2, 2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide 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 413.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C21H23N3O2S2 |
| Molecular Weight | 413.56 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Recommended Standards
- UNC0379 (CAS 1620401-82-2)
- N-(3,5-Dimethylphenyl)-N-((1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)benzenesulfonamide (CAS 87420-26-6)
- Norbuprenorphine (CAS 78715-23-8)
- Pivmecillinam Impurity 12 (CAS CATO-C4X-232312)
- 5-(((9H-fluoren-9-yl)methoxy)carbonyl)-5-azaspiro[2.3]Hexane-1-carboxylic acid (CAS 1934633-43-8)
- Isopropyl (3-chloro-4-fluorophenyl)alaninate (CAS 52756-24-8)
- 3-Bromo-2-methyl-4,5,6,7-tetrahydro-2H-indazole (CAS 1043919-67-0)
- 3-Aminopentane-2,4-dione (CAS 142414-84-4)
- 2,3,6,8-Tetrahydroxybenzofuro[3,2-b][1]benzopyran-5-ium Chloride (CAS 207743-58-6)
- Tert-butyl 2-(tert-butylamino)acetate (CAS 916885-51-3)
- N-Methylglycyl-L-alanyl-N-(1-phosphonoethyl)-(S)-L-alaninamide (CAS 88034-86-0)
- Tert-butyl 7'-bromo-4'-hydroxyspiro[azetidine-3,2'-chromane]-1-carboxylate (CAS 1456724-58-5)
- 3-Amino-2,6-dibromo-4-chlorobenzoic acid (CAS 1208078-13-0)
- Semaglutide impurity 256 (CAS CATO-C4X-2226256)
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