2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide CAS 477331-34-3
| CAS No. | 477331-34-3 |
| Molecular Formula | C25H21ClN4O3S |
| Molecular Weight | 492.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide.
2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 477331-34-3) is a high-purity analytical reference standard with the molecular formula C25H21ClN4O3S and a molecular weight of 492.98 g/mol.
Structurally, 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (C25H21ClN4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 492.98 g/mol, it falls into the moderately-high-molecular-weight range. 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), 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide 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 | C25H21ClN4O3S |
| Molecular Weight | 492.98 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) | 17.0 |
| 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 Chlorophenyl Standards
- Methyl 4-(2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 332947-83-8)
- 2-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 476484-51-2)
- 2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]pyridine-3-carbonitrile (CAS 303985-41-3)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]pyridine-3-carbonitrile (CAS 303985-42-4)
- N-[(4-Chlorophenyl)methyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321848-21-9)
- (5-((4-Chlorophenyl)sulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 4-chlorobenzoate (CAS 318469-38-4)
- 1-(4-Chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]urea (CAS 956370-74-4)
- 5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CAS 321553-30-4)
Recommended Standards
- Relenopride (CAS 1221416-43-8)
- 8-(((2r,5r)-5-Amino-1,3-dioxan-2-yl)methyl)-6-(2-chloro-4-(6-methylpyridin-2-yl)phenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 1648863-90-4)
- 9-Chloro Triamcinolone Acetonide 21-Acetate (CAS 10392-75-3)
- Fmoc-β-Ala-D-Phe(4-Cl)-OH (CAS CATO-CPTD788351)
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- 2,4-Dimethyl-6-(trifluoromethyl)pyridin-3-amine (CAS 2407072-55-1)
- (2-IODOPHENYL)METHANOL 2-Iodobenzyl alcohol 5159-41-1 AS03985 O-IODOBENZYL ALCOHOL RARECHEM AL BD 0562 (CAS 5159-41-1)
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