3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one CAS 302938-07-4
| CAS No. | 302938-07-4 |
| Molecular Formula | C21H16FN3OS2 |
| Molecular Weight | 409.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one.
3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 302938-07-4), molecular formula C21H16FN3OS2 and molecular weight 409.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-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. 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.
As a certified reference material (CRM), 3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Ethyl Standards
- 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine (CAS 154558-38-0)
- 1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one (CAS 1775455-69-0)
- N-(2-Fluorophenyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide (CAS 946247-48-9)
- 1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one (CAS 439081-02-4)
- 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazine (CAS 851472-82-7)
- trans-1-(4-Fluorophenyl)-3-((R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one (CAS 947332-80-1)
- (S)-5-(1-(1-(4-Fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole (CAS 2123491-32-5)
- N-(4-fluorophenyl)-1,3-dimethyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carboxamide (CAS 303997-97-9)
Recommended Standards
- 2-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)-4-phenylthiazol-5-yl)acetic acid (CAS 685107-22-6)
- 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)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3,4-difluorophenyl)acetamide (CAS 477330-80-6)
- 5-((3-(3-Fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one (CAS 623936-10-7)
- 3,5-Dibromo-1-(chloromethyl)-1H-1,2,4-triazole (CAS 1674390-12-5)
- 2-(Isopropylsulfonyl)cyclohexan-1-amine (CAS 1343136-30-0)
- 1-Methyl-5-phenyl-1H-1,2,4-triazole-3-carbaldehyde (CAS 1956335-99-1)
- Ethyl (1h-indole-2-carbonyl)glycinate (CAS 69808-66-8)
- 1-(4-Propylphenyl)ethanone (CAS 2932-65-2)
- 2,2,2-Trifluoroethyl n-(4-{imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)carbamate (CAS 1308650-30-7)
- [(6-Methyl-benzothiazol-2-ylcarbamoyl)-methyl-sulfanyl]-acetic acid (CAS 332383-09-2)
- (1S,6R)-2-Azabicyclo[4.1.0]heptane (CAS 1821796-03-5)
- 1-(3,5-Difluorophenyl)pyrrolidin-3-amine (CAS 1096335-32-8)
- Semaglutide Sodium Salt (CAS CATO-C4X-222620)
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