3-Benzyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one CAS 623934-90-7
| CAS No. | 623934-90-7 |
| Molecular Formula | C31H29N3O2S2 |
| Molecular Weight | 539.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Benzyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is closely related to a nitrogen-containing heterocyclic scaffold, 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.
3-Benzyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 623934-90-7), molecular formula C31H29N3O2S2 and molecular weight 539.71 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C31H29N3O2S2, 3-Benzyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one contains a nitrogen-containing heterocyclic scaffold, 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 539.71 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.
CATO manufactures 3-Benzyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C31H29N3O2S2 |
| Molecular Weight | 539.71 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Benzyl Standards
- 4-(5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 624724-16-9)
- 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-one (CAS 623934-85-0)
- 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one (CAS 624724-21-6)
- 3-Butyl-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 624724-25-0)
- 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one (CAS 624724-32-9)
- 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one (CAS 623934-84-9)
- 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one (CAS 623934-88-3)
- 2-(4-Isobutoxy-3-methoxybenzylidene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CAS 606956-86-9)
Recommended Standards
- (10-(2,5-Dihydroxy-3,4-dimethylphenyl)decyl)triphenylphosphonium (CAS 1147011-72-0)
- 5-((3-(3-Methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one (CAS 623933-24-4)
- Erythromycin EP Impurity I（Erythralosamine） (CAS 546-57-6)
- 5-((3-(4-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one (CAS 378206-71-4)
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- 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-[(furan-2-yl)methyl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine (CAS 477848-68-3)
- (S)-(1-(3-chlorobenzyl)pyrrolidin-2-yl)methanol (CAS 1333575-03-3)
- Palbociclib Impurity 58 (CAS 608142-93-4)
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