Methyl 3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate CAS 478246-60-5
| CAS No. | 478246-60-5 |
| Molecular Formula | C21H25N3O6S |
| Molecular Weight | 447.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate (C21H25N3O6S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 447.50 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Methyl 3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate (CAS 478246-60-5) is a high-purity analytical reference standard with the molecular formula C21H25N3O6S and a molecular weight of 447.50 g/mol.
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), Methyl 3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate 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 | C21H25N3O6S |
| Molecular Weight | 447.50 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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