Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate CAS 361466-22-0
| CAS No. | 361466-22-0 |
| Molecular Formula | C26H23ClN4O2 |
| Molecular Weight | 458.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 458.94 g/mol gives Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 361466-22-0), a certified reference material (molecular formula C26H23ClN4O2, MW 458.94 g/mol) for analytical method development and quality control.
Structurally, Ethyl 1-(4-chlorophenyl)-5-(1H-indol-3-yl)-4-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate (C26H23ClN4O2) contains a steroid core, an amide 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 458.94 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.
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 | C26H23ClN4O2 |
| Molecular Weight | 458.94 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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 |
Related Ethyl Standards
- 1-(4-Chlorophenyl)-3-((4-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-89-0)
- 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 692287-38-0)
- 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606958-26-3)
- (E)-{2-[(4-chlorophenyl)sulfanyl]-1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethylidene}[(4-methoxyphenyl)methoxy]amine (CAS 866131-22-8)
- 4-(4-(4-Chlorophenyl)thiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)benzamide (CAS 338408-10-9)
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- 1-[(3-Chlorophenyl)methyl]-3-methyl-4-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 317822-39-2)
- 3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole (CAS 344273-55-8)
Recommended Standards
- 2,2'-(2-Bromo-5-(difluoromethyl)-1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS 2377606-64-7)
- Crizotinib impurity 34 (CAS CATO-C4X-102534)
- Crizotinib impurity 35 (CAS CATO-C4X-102535)
- Crizotinib impurity 40 (CAS CATO-C4X-102540)
- (2E,4E)-2-Benzoyl-5-(2-nitrophenyl)-2,4-pentadienenitrile (CAS 1025224-57-0)
- 4-Iodo-6-methoxy-1H-indazol-3-ol (CAS 887570-73-2)
- [trans-2-ethynylcyclopropyl]methanol (CAS 1410809-74-3)
- 2487-95-8 4-isocyanatocyclopent-1-ene F2163-0022 (CAS 2487-95-8)
- Ethyl 2-(4-Oxopiperidin-1-Yl)Acetate (CAS 145729-10-8)
- 6-(Pyrrolidin-1-yl)pyridin-2-amine (CAS 883987-27-7)
- 2-(1-{[methyl(oxan-4-yl)carbamoyl]methyl}cyclohexyl)acetic acid (CAS 1157262-35-5)
- N-(tert-butyl)-2-((furan-2-ylmethyl)amino)acetamide (CAS 1021141-24-1)
- 2,6-Dichloro-4-fluorophenol (CAS 392-71-2)
- Epidermal Growth Factor Receptor Peptide (985-996) (CAS 96249-43-3)
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