3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-one CAS 242471-90-5
| CAS No. | 242471-90-5 |
| Molecular Formula | C21H15F3N4OS |
| Molecular Weight | 428.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-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.
CATO supplies 3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-one (CAS 242471-90-5), a certified reference material (molecular formula C21H15F3N4OS, MW 428.43 g/mol) for analytical method development and quality control.
The molecular framework of 3-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-one (C21H15F3N4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-(5-Mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)-1-(3-(trifluoromethyl)benzyl)pyridin-2(1H)-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 | C21H15F3N4OS |
| Molecular Weight | 428.43 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 | 4 |
| Sulfur Atoms | 1 |
Related Mercapto Standards
- N-(4-(5-Mercapto-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-46-7)
- N-(4-(5-Mercapto-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-41-2)
- N-(4-(5-Mercapto-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-50-3)
- N-(4-(5-Mercapto-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-44-5)
- N-(4-(5-Mercapto-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)phenyl)benzenesulfonamide (CAS 917747-38-7)
- 2-Mercapto-3-(2-methoxyphenyl)-7-(tert-pentyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 735320-36-2)
- 1,2-Bis(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)ethane-1,2-diol (CAS 296880-71-2)
- cis-[4-(Mercapto-κS)cyclohexanolato](triethylphosphine)gold (CAS 1831092-25-1)
Recommended Standards
- 2,4-Diamino-6-((4-bromophenyl)amino)pyrimidine-5-carbonitrile (CAS 91062-86-1)
- 3-Amino-6-(pyridin-4-yl)-N-(4-(trifluoromethyl)benzyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 387831-34-7)
- 2-((5-Formyl-2-methoxybenzyl)thio)-4-phenyl-6-(trifluoromethyl)nicotinonitrile (CAS 514843-28-8)
- Ethyl 5-cyano-2-phenyl-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carboxylate (CAS 306980-03-0)
- Methyl carbamimidate 4-methylbenzenesulfonate (CAS 7356-58-3)
- 2-(n-Butyl-d9-amino)-4-chloro-6-cyclopropylamino-1,3,5-triazine (CAS 1189997-37-2)
- Ethyl 2-chloro-5-(chlorosulfonyl)nicotinate (CAS 334708-07-5)
- rac-(2R,3R)-1-ethyl-2-(1-methyl-1H-imidazol-2-yl)-6-oxopiperidine-3-carboxylic acid (CAS 1969287-86-2)
- Imidazo[1,2-a]pyridine-8-carboxylic Acid (CAS 133427-08-4)
- Mono-tert-butyl succinate (CAS 15026-17-2)
- 6-Chloro-5-iodopyrimidine-2,4-diamine (CAS 1186093-86-6)
- (1R,2R)-2-(1H-pyrazol-1-yl)cyclopentan-1-amine compound with (1S,2S)-2-(1H-pyrazol-1-yl)cyclopentan-1-amine (1:1) dihydrochloride (CAS 1821743-28-5)
- N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) (CAS 41131-65-1)
- Des-Ala21-Tirzepatide (CAS CATO-CPTD788952)
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