Copper bis[ethyl2-[(2-benzothiazolyl-kN3)methyl]-4-methyl-5-thiazolecarboxylate-kN3]-dichloride CAS 457054-15-8
| CAS No. | 457054-15-8 |
| Molecular Formula | C28H24Cl2CuN4O4S4 |
| Molecular Weight | 743.23 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 Copper bis[ethyl2-[(2-benzothiazolyl-kN3)methyl]-4-methyl-5-thiazolecarboxylate-kN3]-dichloride.
Copper bis[ethyl2-[(2-benzothiazolyl-kN3)methyl]-4-methyl-5-thiazolecarboxylate-kN3]-dichloride (CAS 457054-15-8) is a high-purity analytical reference standard with the molecular formula C28H24Cl2CuN4O4S4 and a molecular weight of 743.23 g/mol.
The molecular framework of Copper bis[ethyl2-[(2-benzothiazolyl-kN3)methyl]-4-methyl-5-thiazolecarboxylate-kN3]-dichloride (C28H24Cl2CuN4O4S4) is characterized by a salt form, a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C28H24Cl2CuN4O4S4 |
| Molecular Weight | 743.23 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 4 |
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- Nerandomilast impurity 5 (CAS CATO-C4X-34735)
- 6-(2-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876884-51-4)
- 1-Fluoropentane (CAS 592-50-7)
- 2,2-Difluoroethyl ethyl carbonate (CAS 916678-14-3)
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