3-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride CAS 17720-52-4
| CAS No. | 17720-52-4 |
| Molecular Formula | C18H13FN6O3S |
| Molecular Weight | 412.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride (CAS 17720-52-4), molecular formula C18H13FN6O3S and molecular weight 412.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride (C18H13FN6O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 412.40 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
CATO manufactures 3-((4-(6-Amino-9H-purin-8-yl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H13FN6O3S |
| Molecular Weight | 412.40 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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