(E)-{[1-(4-chlorophenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methylidene}amino 4-fluorobenzoate CAS 477887-83-5
| CAS No. | 477887-83-5 |
| Molecular Formula | C35H26ClFN2O2S |
| Molecular Weight | 593.11 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.
(E)-{[1-(4-chlorophenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methylidene}amino 4-fluorobenzoate (CAS 477887-83-5) is a high-purity analytical reference standard with the molecular formula C35H26ClFN2O2S and a molecular weight of 593.11 g/mol.
The molecular framework of (E)-{[1-(4-chlorophenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methylidene}amino 4-fluorobenzoate (C35H26ClFN2O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. 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 | C35H26ClFN2O2S |
| Molecular Weight | 593.11 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) | 23.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related E Standards
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- (E)-{[1-(4-chlorophenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methylidene}amino 4-methylbenzoate (CAS 477887-84-6)
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Recommended Standards
- 142761-78-2 (3-Ethynyl-4-{[tri(propan-2-yl)silyl]ethynyl}hex-3-ene-1,5-diyne-1,6-diyl)bis[tri(propan-2-yl)silane] DTXSID90565714 (CAS 142761-78-2)
- 4-(5-(Benzylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)-1-((4-chlorophenyl)sulfonyl)piperidine (CAS 478042-34-1)
- Hexadecamethylcyclooctasiloxane (CAS 556-68-3)
- 1,2-Bis(3-(dodecylthio)thiophen-2-yl)ethene (CAS 1235883-28-9)
- 1H-Indole-2,3-dione, 5-chloro-1-[(3,4-dichlorophenyl)methyl]-, 3-[O-(3-chloro-1-oxopropyl)oxime] (CAS 320420-75-5)
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- 3-(Isopropylthio)benzoic acid (CAS 114838-12-9)
- 1-((4-Fluorophenyl)sulfonyl)indoline-2,3-dione (CAS 847363-06-8)
- 2-Bromo-4,5-difluorobenzyl alcohol (CAS 476620-55-0)
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- 2,6-Dichloro-3-sulfamoylbenzoic acid (CAS 72290-28-9)
- (5Z,8Z,11Z)-13-((2S,3R)-3-Pentyloxiran-2-yl)trideca-5,8,11-trienoic acid (CAS 98103-48-1)
- (2Z)-3-(2-cyanophenyl)prop-2-enoic acid (CAS 27510-48-1)
- Semaglutide Impurity 4 (CAS CATO-C4X-22264)
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