5-((2-Chlorobenzyl)thio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS 321553-39-3
| CAS No. | 321553-39-3 |
| Molecular Formula | C20H17ClF3N3O2S |
| Molecular Weight | 455.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((2-Chlorobenzyl)thio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((2-Chlorobenzyl)thio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-39-3), molecular formula C20H17ClF3N3O2S and molecular weight 455.88 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-((2-Chlorobenzyl)thio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (C20H17ClF3N3O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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 | C20H17ClF3N3O2S |
| Molecular Weight | 455.88 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 | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- 2-((4-Chlorobenzyl)sulfonyl)-1,1-bis(4-chlorophenyl)ethanol (CAS 252026-84-9)
- 3-(((4-Chlorobenzyl)thio)methyl)-5-((4-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344270-29-7)
- N-((5-((4-Chlorobenzyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methylaniline (CAS 332872-74-9)
- N-(2-Chlorobenzyl)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CAS 477234-38-1)
- 2-((2-Chlorobenzyl)thio)-4-(4-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 337925-06-1)
- 2-((4-Chlorobenzyl)thio)-4-(2-methoxyphenyl)-6-(p-tolyl)nicotinonitrile (CAS 337925-12-9)
- N-(3-chlorobenzyl)-1-(5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl)piperidine-4-carboxamide (CAS 1291855-47-4)
- 6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one (CAS 439112-35-3)
Recommended Standards
- 2-(3,5-Diiodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1073339-00-0)
- Propyrisulfuron (CAS 570415-88-2)
- 5-(4-Chlorophenyl)-1-(p-tolyl)-N-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxamide (CAS 477713-24-9)
- (E)-N-(5-acetyl-6-(2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)vinyl)-2-oxo-2H-pyran-3-yl)-4-chlorobenzamide (CAS 341966-10-7)
- (2E)-2-Cyano-N-(2-fluoro-4-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-enamide (CAS 338393-99-0)
- (R)-1-(3,4,5-trifluorophenyl)pentan-1-amine (CAS 1212941-68-8)
- (E)-4,4'-(Ethene-1,2-diyl)dianiline (CAS 7314-06-9)
- Methyl 4-bromo-5-cyclopropyl-1-methyl-1h-pyrazole-3-carboxylate (CAS 1247688-02-3)
- Kw-6055 (CAS 63233-46-5)
- (3R,4R)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate (CAS 1932499-00-7)
- N-(2-ethoxybenzyl)-1-(furan-2-yl)methanamine (CAS 436096-80-9)
- Dydrogesterone Impurity 25 (CAS CATO-C4X-218325)
- tert-Butyl 5-acetyl-1H-indole-1-carboxylate (CAS 848357-27-7)
- MCH-Gene-Overprinted-Polypeptide-14 (rat) (H-4746.0500) (CAS 182917-44-8)
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