2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6,7-dimethoxy-4H-3,1-benzothiazin-4-imine CAS 338959-70-9
| CAS No. | 338959-70-9 |
| Molecular Formula | C20H19ClF3N5O2S |
| Molecular Weight | 485.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6,7-dimethoxy-4H-3,1-benzothiazin-4-imine (CAS 338959-70-9) is a high-purity analytical reference standard with the molecular formula C20H19ClF3N5O2S and a molecular weight of 485.91 g/mol.
The molecular framework of 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6,7-dimethoxy-4H-3,1-benzothiazin-4-imine (C20H19ClF3N5O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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. 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.
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 | C20H19ClF3N5O2S |
| Molecular Weight | 485.91 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N,N-bis(2-hexyloctyl)aniline (CAS 217655-09-9)
- Flucloxacillin impurity 6 (CAS CATO-C4X-16476)
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- 3-(4-Nitro-1H-pyrazol-1-yl)aniline (CAS 62537-75-1)
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- 4-(4-Methoxycarbonyl-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (CAS 406235-16-3)
- (S)-2-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)piperidine hydrochloride (CAS 1213677-15-6)
- N4-Cyclopropylpyrimidine-4,5-diamine (CAS 380605-40-3)
- 4-Hydroxy-2-isopropoxybenzenesulfonamide (CAS 1243374-01-7)
- Peptide Impurity 64 (CAS CATO-CPTD788964)
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