4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride CAS 42447-68-7
| CAS No. | 42447-68-7 |
| Molecular Formula | C25H17FN6O4S |
| Molecular Weight | 516.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride (CAS 42447-68-7), molecular formula C25H17FN6O4S and molecular weight 516.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride (C25H17FN6O4S) 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 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 516.50 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C25H17FN6O4S |
| Molecular Weight | 516.50 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) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1969 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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