Ethyl 4-[3-(4-fluorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate CAS 478065-28-0
| CAS No. | 478065-28-0 |
| Molecular Formula | C21H18FN3O4S |
| Molecular Weight | 427.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 4-[3-(4-fluorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate 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.
Ethyl 4-[3-(4-fluorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 478065-28-0) is a high-purity analytical reference standard with the molecular formula C21H18FN3O4S and a molecular weight of 427.45 g/mol.
Structurally, Ethyl 4-[3-(4-fluorobenzamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate (C21H18FN3O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 427.45 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H18FN3O4S |
| Molecular Weight | 427.45 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- Methyl 2-(2-fluorobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335410-83-8)
- Ethyl 2-((5-((4-fluorobenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 338962-50-8)
- 1-(4-(2-Fluorobenzamido)benzyl)-N-phenyl-1H-imidazole-4-carboxamide (CAS 1251572-60-7)
- 1-(4-(4-Fluorobenzamido)benzyl)-N-phenyl-1H-imidazole-4-carboxamide (CAS 1251572-62-9)
- Ethyl 4-{[2-(4-fluorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 478079-36-6)
- Methyl 3-(2-{[2-(4-fluorobenzamido)phenyl]sulfanyl}acetamido)thiophene-2-carboxylate (CAS 477887-62-0)
- 2-(3-(4-Fluorobenzamido)phenoxy)ethyl 4-fluorobenzoate (CAS 866008-26-6)
- Ethyl 2-(4-fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylate (CAS 300570-93-8)
Recommended Standards
- Ala-Ala-Phe p-nitroanilide (CAS 61043-41-2)
- N-(2-(5-(2-Fluorophenyl)-1-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide (CAS 923217-19-0)
- 4-[(5Z)-5-[(4-Nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione (CAS 477766-82-8)
- N-(9-((2R,4S,5R)-4-(1-Ethoxyethoxy)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide (CAS 60134-99-8)
- 3-(methoxymethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride (CAS 2227205-31-2)
- 2-(2-Tetrahydrofuryl)ethanamine (CAS 98277-97-5)
- 3-((3-(Trifluoromethyl)phenyl)sulfonamido)propanoic acid (CAS 612042-13-4)
- 2-(4-Methoxyphenyl)propan-2-amine (CAS 30568-44-6)
- Ethyl 3-(pyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CAS 1119452-22-0)
- 4-(3-Methoxypropoxy)butane-1-sulfonyl chloride (CAS 1344290-58-9)
- 1h,2h-Perfluoroisopropyl Fluorosulphonate (CAS 933668-27-0)
- 2-(p-Tolylcarbamoyl)benzoic acid (CAS 19336-70-0)
- Chlorodihydrido[bis(2-di-i-propylphosphinoethyl)amine]iridium(III) (CAS 791629-96-4)
- Protein Kinase C (19-36) Peptide (CAS 113731-96-7)
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