BAy 41-4109 (less active enantiomer) CAS 476617-51-3
| CAS No. | 476617-51-3 |
| Molecular Formula | C18H13ClF3N3O2 |
| Molecular Weight | 395.76 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.
BAy 41-4109 (less active enantiomer) (CAS 476617-51-3) is a high-purity analytical reference standard with the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.76 g/mol.
Based on its molecular formula C18H13ClF3N3O2, BAy 41-4109 (less active enantiomer) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 395.76 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C18H13ClF3N3O2 |
| Molecular Weight | 395.76 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- Bay 41-4109 (CAS 298708-81-3)
- Methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (CAS 298708-79-9)
- 2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]-1,4-dihydronaphthalene-1,4-dione (CAS 303152-84-3)
- Mabuterol Impurity 11 (CAS CATO-C4X-145411)
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- 4-Nitro-7-(piperidin-1-yl)benzo[c][1,2,5]oxadiazole (CAS 18378-22-8)
- 2-Bromo-5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol (CAS 1804660-10-3)
- Abemaciclib impurity 104 (CAS 150807-86-6)
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- Fluticasone Impurity 75 (CAS CATO-C4X-165075)
- N-(4-broMo-2-isopropylphenyl)acetaMide (CAS 51688-72-3)
- [(S)-1-(2-Amino-ethyl)-pyrrolidin-3-yl]-isopropyl-carbamic acid tert-butyl ester (CAS 1353994-87-2)
- Semaglutide impurity 77 (CAS CATO-C4X-222677)
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