N-((4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide CAS 338794-42-6
| CAS No. | 338794-42-6 |
| Molecular Formula | C23H27BrN4O2S2 |
| Molecular Weight | 535.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-((4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-((4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide (CAS 338794-42-6), a certified reference material (molecular formula C23H27BrN4O2S2, MW 535.52 g/mol) for analytical method development and quality control.
Based on its molecular formula C23H27BrN4O2S2, N-((4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 535.52 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.
As a certified reference material (CRM), N-((4-allyl-5-((4-(tert-butyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide 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 | C23H27BrN4O2S2 |
| Molecular Weight | 535.52 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related N Standards
- n-Allyl-2,3,5-triiodobenzamide (CAS 452965-91-2)
- 1-Allyl-1H-indene (CAS 20258-77-9)
- Allyl (6aS)-6-((tert-butyldimethylsilyl)oxy)-3-hydroxy-2-methoxy-14-oxo-6,6a,7,12-tetrahydrobenzo[5,6][1,4]diazepino[1,2-b]isoquinoline-5(14H)-carboxylate (CAS 1964490-03-6)
- N-((4-allyl-5-((4-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-bromobenzenesulfonamide (CAS 338794-43-7)
- 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dibromo-4-methylphenyl)acetamide (CAS 585560-04-9)
- 4-(4-Allyl-5-((4-phenoxybutyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 956200-81-0)
- 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)
- Ethyl 2-(1-allyl-2-oxoindolin-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 324566-04-3)
Recommended Standards
- Dibenzyl 5-((diethoxyphosphoryl)methyl)-1H-indole-1,2-dicarboxylate (CAS 1233086-48-0)
- Relugolix Impurity 111 (CAS CATO-C4X-2429111)
- Piperaquine Impurity 8 (CAS 918879-09-1)
- Eravacycline impurity 28 (CAS CATO-C4X-293828)
- (Z)-4-((tert-Butyldimethylsilyl)oxy)-2-fluorobut-2-enoic acid (CAS 2375589-48-1)
- 3-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)propanimidamide (CAS 779292-42-1)
- 4-(2-(2-Bromophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)aniline (CAS 832151-06-1)
- 3-(4-Fluorophenoxy)propane-1-sulfonyl chloride (CAS 211381-18-9)
- (1S,4R)-4-(3,5-Dimethyl-1H-pyrazol-4-yl)cyclopent-2-enol (CAS 1296172-37-6)
- 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 618074-11-6)
- 2,2'-(Cyclopent-3-ene-1,1-diyl)diacetonitrile (CAS 131779-47-0)
- 2-(3-Aminoazetidin-1-yl)-N-cyclohexylacetamide (CAS 1339507-94-6)
- 2-3-4-Tri-O-acetyl-β-D-xylopyranosyl azide (CAS 53784-33-1)
- Semaglutide Impurity 137 (x TFA Salt) (CAS CATO-C4X-2226137)
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