4-Amino-5-benzoyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thiophene-3-carbonitrile CAS 478081-63-9
| CAS No. | 478081-63-9 |
| Molecular Formula | C20H13FN2O2S2 |
| Molecular Weight | 396.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 4-Amino-5-benzoyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thiophene-3-carbonitrile 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.
4-Amino-5-benzoyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thiophene-3-carbonitrile (CAS 478081-63-9) is a high-purity analytical reference standard with the molecular formula C20H13FN2O2S2 and a molecular weight of 396.46 g/mol.
The molecular framework of 4-Amino-5-benzoyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}thiophene-3-carbonitrile (C20H13FN2O2S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C20H13FN2O2S2 |
| Molecular Weight | 396.46 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(tert-butyl)benzoate (CAS 877635-40-0)
- 4-Chloro-2-methyl-3-nitrobenzoic acid (CAS 950915-10-3)
- 5-((2,6-Diamino-9H-purin-9-yl)methoxy)-2-hydroxy-1,3,2-dioxaphosphinane 2-oxide (CAS 100683-67-8)
- 1-(2-Chloro-4-fluorophenyl)guanidine (CAS 896720-31-3)
- 3-(Tert-butyl)-1-methyl-1H-pyrazole-5-carbonitrile (CAS 1196104-01-4)
- 2-(4-Formylphenoxy)butanoic acid (CAS 480994-55-6)
- (1-(2-Bromo-5-fluorobenzyl)piperidin-4-yl)methanol (CAS 1455671-50-7)
- 1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(diethylamino)phenyl]-4-(ethylamino)- (CAS 1325-86-6)
- 1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid (CAS 29408-39-7)
- Methyl (r)-3-(1-amino-2-hydroxyethyl)benzoate (CAS 1213570-07-0)
- Semaglutide impurity 25 (CAS CATO-C4X-222625)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com