3-((4-Chlorophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one CAS 606953-66-6
| CAS No. | 606953-66-6 |
| Molecular Formula | C23H17ClN4O4S |
| Molecular Weight | 480.92 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.
CATO supplies 3-((4-Chlorophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606953-66-6), a certified reference material (molecular formula C23H17ClN4O4S, MW 480.92 g/mol) for analytical method development and quality control.
Structurally, 3-((4-Chlorophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (C23H17ClN4O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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 480.92 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C23H17ClN4O4S |
| Molecular Weight | 480.92 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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