(9Z)-9-({3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione CAS 866008-36-8
| CAS No. | 866008-36-8 |
| Molecular Formula | C29H18F3NO3S2 |
| Molecular Weight | 549.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 549.58 g/mol gives (9Z)-9-({3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(9Z)-9-({3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione (CAS 866008-36-8), molecular formula C29H18F3NO3S2 and molecular weight 549.58 g/mol, is a CATO reference standard with documented purity and traceability.
(9Z)-9-({3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione (C29H18F3NO3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
CATO manufactures (9Z)-9-({3-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaene-8,18-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C29H18F3NO3S2 |
| Molecular Weight | 549.58 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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- methyl 3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylate (CAS 1276540-40-9)
- (S)-2-Amino-N-((3-methoxypyrazin-2-yl)methyl)-N-methylpropanamide (CAS 1354009-40-7)
- 2-Oxo-2,3-dihydropyridine-3-carboxylic acid (CAS 1314901-45-5)
- (R)-2-(1-Hydroxyethyl)benzoic acid (CAS 158169-17-6)
- 2-Chloro-4-(trifluoromethyl)benzenesulfonamide (CAS 146533-47-3)
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- N-(5-amino-2,3-dihydro-1H-inden-2-yl)acetamide (CAS 73536-85-3)
- Methyl 3-amino-5-methoxybenzofuran-2-carboxylate (CAS 330555-73-2)
- Eosinophilotactic Peptide (CAS 61756-28-3)
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