2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide CAS 618880-35-6
| CAS No. | 618880-35-6 |
| Molecular Formula | C20H20ClN5OS |
| Molecular Weight | 413.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CAS 618880-35-6), molecular formula C20H20ClN5OS and molecular weight 413.92 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide (C20H20ClN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 413.92 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C20H20ClN5OS |
| Molecular Weight | 413.92 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 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)
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Recommended Standards
- 1,3,5-Tris(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene (CAS 916330-18-2)
- 4-((4-Chlorophenyl)thio)-5-morpholino-2-(p-tolyl)pyridazin-3(2H)-one (CAS 551921-37-0)
- (2-Chloro-4-((4-(thiophen-2-yl)pyrimidin-2-yl)amino)phenyl)(4-methylpiperazin-1-yl)methanone (CAS 1139875-74-3)
- 4-{6-[(4-chlorobenzenesulfinyl)methyl]-2-phenylpyrimidin-4-yl}morpholine (CAS 306980-67-6)
- 2-Bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine (CAS 1806909-33-0)
- 2-(Dimethylamino)-3-methyl-1,3,2-oxazaphospholidine 2-oxide (CAS 51833-54-6)
- Ethyl 6-(3-fluorophenyl)-6-oxohexanoate (CAS 898752-12-0)
- Pyrimidine-5-carbohydrazide (CAS 40929-42-8)
- 1-(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one (CAS 1209943-12-3)
- 4,6-Dimethoxy-5-methylpyrimidin-2-amine (CAS 341009-90-3)
- [4-(1-Methanesulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]boronic acid (CAS 2377587-30-7)
- 9-Fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one (CAS 1094299-21-4)
- 2,2,7,7-Tetramethylcycloheptanol (CAS 105463-45-4)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
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