[5-(4-Fluorophenyl)-2-thienyl][2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)phenyl]-methanone CAS 1312811-00-9
| CAS No. | 1312811-00-9 |
| Molecular Formula | C32H31FO10S |
| Molecular Weight | 626.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of [5-(4-Fluorophenyl)-2-thienyl][2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)phenyl]-methanone is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies [5-(4-Fluorophenyl)-2-thienyl][2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)phenyl]-methanone (CAS 1312811-00-9), a certified reference material (molecular formula C32H31FO10S, MW 626.65 g/mol) for analytical method development and quality control.
Structurally, [5-(4-Fluorophenyl)-2-thienyl][2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)phenyl]-methanone (C32H31FO10S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. 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 626.65 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C32H31FO10S |
| Molecular Weight | 626.65 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- Relugolix Impurity 166 (CAS CATO-C4X-2429166)
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- Relugolix Impurity 112 (CAS 1589503-94-5)
- Bis-Mal-PEG6 (CAS 2458811-07-7)
- (3S,4S)-3-Methyltetrahydro-2H-pyran-4-amine (CAS 693245-62-4)
- (1-(3-(Methylsulfonyl)phenyl)cyclopentyl)methanamine (CAS 1891772-44-3)
- H-Ala-Phe-OH (CAS 3061-90-3)
- Aceclofenac Methyl Ester (Aceclofenac EP Impurity D) (CAS 139272-66-5)
- 2-Methyltetrahydro-2H-pyran-2-carbohydrazide (CAS 1217862-65-1)
- tert-Butyl (2S,4R)-4-amino-2-methylpiperidine-1-carboxylate (CAS 1932542-32-9)
- 1-(6-(Benzylamino)-5-methylpyridin-3-yl)propan-1-one (CAS 1355230-39-5)
- 8-Chloroquinoline-2-carbonitrile (CAS 1231761-08-2)
- Tert-butyl 3-hydroxy-3-(2-oxopropyl)azetidine-1-carboxylate (CAS 1772605-55-6)
- Semaglutide impurity 103 (CAS 1446013-07-5)
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