11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one CAS 338397-40-3
| CAS No. | 338397-40-3 |
| Molecular Formula | C23H16Cl3F3N4OS2 |
| Molecular Weight | 591.88 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 11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one.
11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 338397-40-3), molecular formula C23H16Cl3F3N4OS2 and molecular weight 591.88 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 591.88 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | C23H16Cl3F3N4OS2 |
| Molecular Weight | 591.88 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Chloro Standards
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