Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate CAS 336180-72-4
| CAS No. | 336180-72-4 |
| Molecular Formula | C27H26N4O3S |
| Molecular Weight | 486.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate (CAS 336180-72-4), molecular formula C27H26N4O3S and molecular weight 486.59 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate (C27H26N4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 486.59 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C27H26N4O3S |
| Molecular Weight | 486.59 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 |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- Methyl 6-amino-5-cyano-2-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate (CAS 354556-44-8)
- 2-Amino-6-(3,6-bis(diethylamino)xanthylium-9-yl)-3-(methylamino)benzoate (CAS 261351-44-4)
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- 3-Amino-6-(benzo[d][1,3]dioxol-5-yl)-N-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 626227-65-4)
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