(E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methylidene)[(4-methylphenyl)methoxy]amine CAS 321998-29-2
| CAS No. | 321998-29-2 |
| Molecular Formula | C25H22ClN3OS |
| Molecular Weight | 447.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methylidene)[(4-methylphenyl)methoxy]amine (CAS 321998-29-2) is a high-purity analytical reference standard with the molecular formula C25H22ClN3OS and a molecular weight of 447.98 g/mol.
Structurally, (E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methylidene)[(4-methylphenyl)methoxy]amine (C25H22ClN3OS) 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 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 447.98 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.
Physical & Chemical Properties
| Molecular Formula | C25H22ClN3OS |
| Molecular Weight | 447.98 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related E Standards
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