5-((1-(2-(2,4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione CAS 667880-38-8
| CAS No. | 667880-38-8 |
| Molecular Formula | C24H23N3O3S |
| Molecular Weight | 433.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((1-(2-(2,4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((1-(2-(2,4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 667880-38-8), molecular formula C24H23N3O3S and molecular weight 433.52 g/mol, is a CATO reference standard with documented purity and traceability.
5-((1-(2-(2,4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (C24H23N3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C24H23N3O3S |
| Molecular Weight | 433.52 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 4-(tert-Butyl)-N-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxoethyl)benzenesulfonamide (CAS 671201-17-5)
- 76863-28-0 Fluorescein-5-thiosemicarbazide MFCD04221206 N-(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-hydrazinecarbothioamide (CAS 76863-28-0)
- Methyl 5-Chloropyrimidine-2-carboxylate (CAS 894797-00-3)
- 3-Methyl-1-(propylthio)cyclobutane-1-carboxylic acid (CAS 1486310-43-3)
- 2-Nitrothiazole-5-carbaldehyde (CAS 22963-31-1)
- (4-(3-Methoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid (CAS 179942-50-8)
- 2-(4-Amino-2-chlorophenyl)acetic acid (CAS 1260795-87-6)
- 8-Bromo-5-chloroimidazo[1,2-c]pyrimidine (CAS 2095237-01-5)
- (1E,4E)-1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(dimethylamino)penta-1,4-dien-3-one (CAS 303997-44-6)
- Lifitegrast Impurity 112 (CAS CATO-C4X-2409112)
- 4-Fluoro-5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (CAS 2304635-42-3)
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