N-(2-Bromophenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide CAS 577960-68-0
| CAS No. | 577960-68-0 |
| Molecular Formula | C20H20BrN3O2S2 |
| Molecular Weight | 478.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, N-(2-Bromophenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 478.43 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
N-(2-Bromophenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 577960-68-0) is a high-purity analytical reference standard with the molecular formula C20H20BrN3O2S2 and a molecular weight of 478.43 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C20H20BrN3O2S2 |
| Molecular Weight | 478.43 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- Apalutamide Impurity 72 (CAS 1950587-19-5)
- Others Impurity 85 (CAS 731016-26-5)
- 5-(((1R,1AS,6bR)-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl)oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one (CAS 1446090-79-4)
- Gemcitabine Impurity 34 (CAS CATO-C4X-137234)
- 6-(2,6-Dichlorophenyl)-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 865756-07-6)
- 6-Phenyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one (CAS 23935-84-4)
- 2-CYCLOPROPYL-4,5-DIHYDRO-6H-THIENO[2,3-C]PYRROL-6-ONE (CAS 1361941-18-5)
- 2-(4-Chlorobenzyl)-4-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-39-6)
- Alogliptin Impurity 10 (CAS CATO-C4X-109910)
- 3-[(1Z)-2-Amino-1,2-dicyanoeth-1-en-1-yl]-1-phenylurea (CAS 51802-29-0)
- 2-Bromo-N-(2,6-diethylphenyl)acetamide (CAS 20781-88-8)
- 2-Ethoxy-5-methylpyridin-3-amine (CAS 1538168-20-5)
- Fmoc-trans-4-fluoro-Pro-OH (CAS 203866-20-0)
- Semaglutide Impurity 124 (CAS CATO-C4X-2226124)
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