2-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-octahydro-1H-isoindole-1,3-dione CAS 477886-65-0
| CAS No. | 477886-65-0 |
| Molecular Formula | C19H15F3N2O3S2 |
| Molecular Weight | 440.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-octahydro-1H-isoindole-1,3-dione (CAS 477886-65-0), molecular formula C19H15F3N2O3S2 and molecular weight 440.46 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[(5Z)-4-Oxo-2-sulfanylidene-5-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidin-3-yl]-octahydro-1H-isoindole-1,3-dione (C19H15F3N2O3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 440.46 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.
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 | C19H15F3N2O3S2 |
| Molecular Weight | 440.46 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- 12,13,71,72-Tetrahydro-11H,51H-2,4,6,8-tetraaza-1,5(1,3)-diisoindolina-3,7(2,6)-dipyridinacyclooctaphane (CAS 343-44-2)
- 3-(1-((2-Fluoro-[1,1'-biphenyl]-4-yl)oxy)ethyl)-1-((4-fluorophenyl)sulfonyl)-1H-pyrazole (CAS 477711-02-7)
- 7-Benzyl-4-(4-(trifluoromethyl)benzyl)-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one (CAS 1807861-48-8)
- N-(3-cyanothiophen-2-yl)-4-fluoro-N-((4-fluorophenyl)sulfonyl)benzenesulfonamide (CAS 866019-36-5)
- 2-(1-Benzyl-2-methyl-1H-indol-3-yl)ethan-1-amine (CAS 18690-56-7)
- Methyl 2-amino-4-(hydroxymethyl)thiazole-5-carboxylate (CAS 25039-76-3)
- 1-Methoxy-N-((5-methylfuran-2-yl)methyl)butan-2-amine (CAS 1339412-79-1)
- 5-((4-(3,5-Dioxohexyl)phenyl)amino)-5-oxopentanoic acid (CAS 192650-26-3)
- Fmoc-Ile-OPfp (CAS 86060-89-1)
- (R)-2-nitro-6-(pyrrolidin-2-yl)-4-(trifluoromethyl)phenol (CAS 1212975-93-3)
- (3,4-Dichlorophenyl)methanamine hydrochloride (CAS 49552-34-3)
- 4-(2-(2-Methylfuran-3-carbonyl)hydrazinyl)-4-oxobutanoic acid (CAS 356769-70-5)
- 1-(2,4-DIchloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester (CAS 1239769-46-0)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
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