6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one CAS 439112-35-3
| CAS No. | 439112-35-3 |
| Molecular Formula | C22H20ClN5O2S |
| Molecular Weight | 453.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 453.94 g/mol gives 6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one (CAS 439112-35-3) is a high-purity analytical reference standard with the molecular formula C22H20ClN5O2S and a molecular weight of 453.94 g/mol.
Based on its molecular formula C22H20ClN5O2S, 6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 453.94 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.
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 | C22H20ClN5O2S |
| Molecular Weight | 453.94 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- N-(3-chlorobenzyl)-1-(5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl)piperidine-4-carboxamide (CAS 1291855-47-4)
- 5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-31-5)
- N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-36-9)
- S-(2-chlorobenzyl) (1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamothioate (CAS 338783-79-2)
- 2-((4-Chlorobenzyl)thio)pyrimidine-4-carbaldehyde O-(2,6-dichloroisonicotinoyl) oxime (CAS 263755-78-8)
- N-(2-Chlorobenzyl)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CAS 477234-38-1)
- N-((5-((4-Chlorobenzyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methylaniline (CAS 332872-74-9)
- 2-((4-Chlorobenzyl)sulfonyl)-1,1-bis(4-chlorophenyl)ethanol (CAS 252026-84-9)
Recommended Standards
- 4-(4-Chlorobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 370575-94-3)
- n-(2-Chloro-5-(morpholinosulfonyl)phenyl)-2-((2-methoxybenzyl)amino)acetamide (CAS 735303-95-4)
- 4-(4-Chlorobenzoyl)-3-hydroxy-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one (CAS 609794-23-2)
- Tolvaptan Impurity 2 (CAS 247237-43-0)
- Desbutyl Bumetanide-d5 (CAS 1072125-54-2)
- (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetic acid (CAS 109971-52-0)
- 1,3,5-Trimethyl-1H-pyrrole-2-carbonitrile (CAS 70319-59-4)
- tert-Butyl 1,2,6-thiadiazinane-2-carboxylate 1,1-dioxide (CAS 952212-86-1)
- 4-Bromo-5-isobutylthiophene-2-carboxylic acid (CAS 1399658-80-0)
- Ethyl 4-((tert-butoxycarbonyl)amino)-1H-pyrrole-2-carboxylate (CAS 903570-20-7)
- (4-Chloro-2-fluorophenyl)(4-(thiomorpholinomethyl)phenyl)methanone (CAS 898783-08-9)
- tert-Butyl (3-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)carbamate (CAS 1935484-73-3)
- 2-(Aminomethyl)propane-1,3-diol hydrochloride (CAS 1427379-01-8)
- D-[Val]10-Semaglutide (CAS CATO-CPTD788630)
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