2-Amino-4-(4-chlorophenyl)-7-methyl-3-(phenylsulfonyl)-4H,5H-pyrano[4,3-b]pyran-5-one CAS 860611-38-7
| CAS No. | 860611-38-7 |
| Molecular Formula | C21H16ClNO5S |
| Molecular Weight | 429.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-Amino-4-(4-chlorophenyl)-7-methyl-3-(phenylsulfonyl)-4H,5H-pyrano[4,3-b]pyran-5-one.
2-Amino-4-(4-chlorophenyl)-7-methyl-3-(phenylsulfonyl)-4H,5H-pyrano[4,3-b]pyran-5-one (CAS 860611-38-7), molecular formula C21H16ClNO5S and molecular weight 429.87 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Amino-4-(4-chlorophenyl)-7-methyl-3-(phenylsulfonyl)-4H,5H-pyrano[4,3-b]pyran-5-one (C21H16ClNO5S) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 429.87 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.
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.
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 | C21H16ClNO5S |
| Molecular Weight | 429.87 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Amino Standards
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Recommended Standards
- 1-(2-Chloro-4-fluorobenzoyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine (CAS 1775482-26-2)
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- 1-(2-Chloro-5-fluorobenzoyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine (CAS 1775304-87-4)
- Dacomitinib Impurity 24 (CAS CATO-C4X-208624)
- 3',5'-Dichloro-[1,1'-biphenyl]-4-sulfonyl chloride (CAS 885267-95-8)
- Methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate (CAS 339016-40-9)
- 4-Methoxy-N-(4-nitrophenyl)benzenesulfonamide (CAS 21226-36-8)
- cis-Ethyl 6-aminocyclohex-3-enecarboxylate hydrochloride (CAS 57266-61-2)
- 4-Phenylpent-1-en-3-ol (CAS 36004-05-4)
- 1-(Pyridin-3-yl)-N-(thiazol-5-ylmethyl)ethan-1-amine (CAS 1344353-95-2)
- 1-(2-fluorophenyl)-N-(6-methylpyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 1135139-56-8)
- n-Butyl-1,1,2,2-d4 Alcohol (CAS 118104-91-9)
- Methyl 2-((4-ethoxyphenyl)sulfonyl)acetate (CAS 1707586-47-7)
- Acetyl Tetrapeptide-11 (CAS 928006-88-6)
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