3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one CAS 400075-04-9
| CAS No. | 400075-04-9 |
| Molecular Formula | C24H19Cl3N4OS |
| Molecular Weight | 517.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (CAS 400075-04-9), a certified reference material (molecular formula C24H19Cl3N4OS, MW 517.86 g/mol) for analytical method development and quality control.
Based on its molecular formula C24H19Cl3N4OS, 3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 517.86 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-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 | C24H19Cl3N4OS |
| Molecular Weight | 517.86 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Allyl Standards
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- 4-(4-Allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3,4-dimethoxyphenyl)thiazole (CAS 400083-72-9)
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- Methyl 4-(((4-allyl-5-(2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate (CAS 956441-48-8)
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- N-((4-allyl-5-((4-chlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide (CAS 338794-41-5)
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Recommended Standards
- 1,3-Dimyristin-d5 (CAS 1246523-63-6)
- 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338399-31-8)
- N-(4-chlorophenyl)-2-((N-(2,4-dichloro-5-methoxyphenyl)-4-fluorophenyl)sulfonamido)acetamide (CAS 338967-35-4)
- (R)-2-(4-(2-Amino-6-(1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)acetic acid (CAS 1956435-42-9)
- Piracetam Impurity 8 (CAS 2609-10-1)
- (2-Methoxy-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)methanol (CAS 205485-29-6)
- (R)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid (CAS 2166192-93-2)
- Methyl 5-((1H-pyrazol-1-yl)methyl)furan-2-carboxylate (CAS 943107-43-5)
- 2-Formyl-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride (CAS 91586-31-1)
- Milbemycin Oxime EP Impurity G (CAS 93074-02-3)
- Triphenylmethylium tetrakis(perfluorophenyl)borate (CAS 136040-19-2)
- 3,4-Dihydro-spiro[cyclobutane-1,1(2H)-isoquinolin]-6-amine (CAS 1092794-38-1)
- 5-Acetyl-5-azaspiro[2.4]heptan-7-one (CAS 400841-12-5)
- Semaglutide impurity 96 (CAS CATO-C4X-222696)
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