2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide CAS 587002-96-8
| CAS No. | 587002-96-8 |
| Molecular Formula | C20H21N5O3S |
| Molecular Weight | 411.48 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-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide.
2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide (CAS 587002-96-8), molecular formula C20H21N5O3S and molecular weight 411.48 g/mol, is a CATO reference standard with documented purity and traceability.
2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide (C20H21N5O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, 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.
As a certified reference material (CRM), 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)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 | C20H21N5O3S |
| Molecular Weight | 411.48 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 618880-15-2)
- 2-((4-Allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide (CAS 763114-72-3)
- N-allyl-2-(1-(2,4-dichlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carbonyl)hydrazine-1-carbothioamide (CAS 242471-93-8)
- N-allyl-2-(1-(2,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carbonyl)hydrazine-1-carbothioamide (CAS 477853-04-6)
- Allyl (6aS)-3,6-dihydroxy-2-methoxy-14-oxo-6,6a,7,12-tetrahydrobenzo[5,6][1,4]diazepino[1,2-b]isoquinoline-5(14H)-carboxylate (CAS 1964490-60-5)
- N-allyl-2-(6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carbonyl)hydrazine-1-carbothioamide (CAS 477852-93-0)
- 1-Allyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 510761-36-1)
- 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 573970-62-4)
Recommended Standards
- (2E,4E)-2-{4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-5-phenylpenta-2,4-dienenitrile (CAS 866051-11-8)
- 2-((5h-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-N-([1,1'-biphenyl]-2-yl)acetamide (CAS 332384-83-5)
- (R)-1-(3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-4-yl)-2,5-diphenyl-1H-pyrrole (CAS 1884457-40-2)
- 2-(2,7-Disulfamoyl-9H-fluoren-9-ylidene)hydrazinecarbothioamide (CAS 303059-60-1)
- 3-Ethyl-1-methyl-1H-imidazol-3-ium dimethyl phosphite (CAS 1283730-64-2)
- Ethyl 2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 667920-89-0)
- 2'-O-MOE-5-Me-rU (CAS 163759-49-7)
- n-Methyl-1-(1-((5-methylthiophen-2-yl)methyl)pyrrolidin-3-yl)methanamine (CAS 1808547-85-4)
- N-(2-Hydroxy-5-(methylamino)phenyl)methanesulfonamide (CAS 200485-15-0)
- Dolutegravir Sodium Salt (CAS 1051375-19-9)
- 8-bromo-6H-[1,2,5]thiadiazolo[3,4-e]indazole (CAS 1935890-86-0)
- Dacarbazine EP Impurity B HCl (CAS 72-40-2)
- Lurasidone Impurity 46 (CAS 15573-40-7)
- Semaglutide Impurity 180 (CAS CATO-C4X-2226180)
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