N-((4-allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide CAS 338422-21-2
| CAS No. | 338422-21-2 |
| Molecular Formula | C19H17Cl3N4O2S2 |
| Molecular Weight | 503.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-((4-allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-((4-allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (CAS 338422-21-2), molecular formula C19H17Cl3N4O2S2 and molecular weight 503.85 g/mol, is a CATO reference standard with documented purity and traceability.
N-((4-allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (C19H17Cl3N4O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C19H17Cl3N4O2S2 |
| Molecular Weight | 503.85 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 | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related N Standards
- N-((4-allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (CAS 338422-23-4)
- Allyl perfluorononanoate (CAS 117374-33-1)
- N-allyl-N-benzhydryl-9,10-dihydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-amine (CAS 2375836-79-4)
- 3-(4-Allyl-5-((2-chloro-6-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (CAS 400075-05-0)
- 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)benzoic acid (CAS 956356-94-8)
- Allyl 4-((2,4-dichlorobenzyl)oxy)-3-ethoxy-5-iodobenzoate (CAS 1706449-68-4)
- Allyl N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(tert-butoxycarbonyl)-L-lysinate (CAS 213667-59-5)
- 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide (CAS 573669-54-2)
Recommended Standards
- (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(2-chloro-4-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS 35023-71-3)
- 153823-58-6 2-Chloro-4-nitrophenyl |A-D-Glucopyranoside 2,3,4,6-Tetraacetate 2-Chloro-4-nitrophenyl-2,3,4,6-tetra-O-acetyl-|A-D-glucopyranoside (CAS 153823-58-6)
- 2-((3-Bromobenzyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 578758-83-5)
- 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dichlorophenyl)acetamide (CAS 477333-46-3)
- 1-(2-Chlorobenzyl)piperidine-2-carboxylic acid (CAS 1031253-78-7)
- 4-Methoxy-5-methyl-pyridin-2-ylamine (CAS 1227596-27-1)
- Benzyl spiro[indoline-3,4'-piperidine]-1-carboxylate (CAS 167483-91-2)
- 1815618-08-6 Biotinyl-MCH (salmon) (CAS 1815618-08-6)
- Betamethasone Impurity 128 (CAS CATO-C4X-1437128)
- 1-Acetyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 947023-03-2)
- 1-(Thiophen-2-yl)prop-2-en-1-one (CAS 13191-29-2)
- 1-Benzyl-N-(3,5-dichlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide (CAS 338412-50-3)
- 4-(((2-Hydroxyethyl)(isopropyl)amino)methyl)benzonitrile (CAS 1247395-01-2)
- 1-His-N-a-ethylidene Semaglutide (CAS CATO-C4X-2226252)
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