5-((3-(3-Fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one CAS 623936-10-7
| CAS No. | 623936-10-7 |
| Molecular Formula | C21H16FN3OS2 |
| Molecular Weight | 409.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((3-(3-Fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((3-(3-Fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one (CAS 623936-10-7) is a high-purity analytical reference standard with the molecular formula C21H16FN3OS2 and a molecular weight of 409.50 g/mol.
Structurally, 5-((3-(3-Fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one (C21H16FN3OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 409.50 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H16FN3OS2 |
| Molecular Weight | 409.50 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Fluoro Standards
- 4-(3-Fluoro-5-((4-(2-methyl-1h-imidazol-1-yl)benzyl)oxy)phenyl)tetrahydro-2h-pyran-4-carboxylic acid (CAS 179420-54-3)
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Recommended Standards
- 4-(tert-Butyl)-N-(5,5-dioxido-2-phenyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)benzamide (CAS 681265-70-3)
- 5-[(3,3-diphenylpropyl)sulfamoyl]-2-methylbenzoic acid (CAS 793690-05-8)
- 3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 302938-07-4)
- Cerlapirdine (CAS 925448-93-7)
- 3-((Allyloxy)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 5424-81-7)
- 2-(Cyclohexyl(ethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 475055-73-3)
- 1-(3,3-difluorocyclobutyl)ethan-1-one (CAS 1621223-57-1)
- 2,2-Difluoroethyl (2,2,3,3-tetrafluoropropyl) carbonate (CAS 1980045-84-8)
- 2-Acetamido-4-chloro-5-methylbenzoic acid (CAS 1204312-39-9)
- (2R,3R,4R,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-methoxy-5-(6-(N-methylbenzamido)-9H-purin-9-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite (CAS 2659239-32-2)
- PFI-2 (CAS 1627676-59-8)
- tricyclo[4.3.1.1~3,8~]undecan-4-one (CAS 24669-56-5)
- 5-(6-((3-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole (CAS 897758-58-6)
- Neuroendocrine Regulatory Peptide-4 (human, mouse, rat) (H-7266.1000) (CAS 922704-18-5)
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