(2S,7R)-4-(4-Chlorophenyl)-5,9-dioxa-3-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),11,13(18),14,16-pentaene CAS 477713-64-7
| CAS No. | 477713-64-7 |
| Molecular Formula | C21H18ClNO2 |
| Molecular Weight | 351.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(2S,7R)-4-(4-Chlorophenyl)-5,9-dioxa-3-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),11,13(18),14,16-pentaene (CAS 477713-64-7), molecular formula C21H18ClNO2 and molecular weight 351.83 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, (2S,7R)-4-(4-Chlorophenyl)-5,9-dioxa-3-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),11,13(18),14,16-pentaene is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 351.83 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), (2S,7R)-4-(4-Chlorophenyl)-5,9-dioxa-3-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),11,13(18),14,16-pentaene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H18ClNO2 |
| Molecular Weight | 351.83 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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