Ethyl 6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate CAS 445384-30-5
| CAS No. | 445384-30-5 |
| Molecular Formula | C27H24ClFN4O3S |
| Molecular Weight | 539.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 445384-30-5), molecular formula C27H24ClFN4O3S and molecular weight 539.02 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (C27H24ClFN4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C27H24ClFN4O3S |
| Molecular Weight | 539.02 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Bis(2,4,6-trichlorophenyl) 2-phenylmalonate (CAS 15781-73-4)
- Amlodipine Impurity 140 (CAS CATO-C4X-1095140)
- 4-((4-Hydroxybutyl)amino)phthalazin-1(2H)-one (CAS 59940-27-1)
- 3-Bromo-6-chloro-2,4-difluorobenzoic acid (CAS 1160573-56-7)
- Methyl 3-amino-4-(tert-butyl)benzoate (CAS 24812-91-7)
- 2-[(Pyridin-3-yl)methyl]-2,11-dihydro-1H-6-oxa-2,5-diazatetracene-1,11-dione (CAS 303995-56-4)
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- Elagolix Impurity 100 (CAS CATO-C4X-2068100)
- 5-Bromo-6-iodobenzo[d][1,3]dioxole (CAS 94670-76-5)
- 4-Bromo-4'-(bromomethyl)-1,1'-biphenyl (CAS 50670-57-0)
- 3,5-Dimethyl-4-(morpholinosulfonyl)phenol (CAS 1704067-04-8)
- Insulin Degludec Impurity 11 (CAS CATO-C4X-215711)
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