(2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 4-fluorobenzoate CAS 478043-41-3
| CAS No. | 478043-41-3 |
| Molecular Formula | C27H21F4NO4S |
| Molecular Weight | 531.52 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.
(2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 4-fluorobenzoate (CAS 478043-41-3), molecular formula C27H21F4NO4S and molecular weight 531.52 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 4-fluorobenzoate (C27H21F4NO4S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 531.52 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.
CATO manufactures (2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl 4-fluorobenzoate 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.
Physical & Chemical Properties
| Molecular Formula | C27H21F4NO4S |
| Molecular Weight | 531.52 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1-(4-(7-Amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl)-3-(((2,4-dimethylphenyl)(methoxy)phosphoryl)amino)-1H-pyrazole-4-carboxylic acid (CAS 1987906-92-2)
- 4-((4-Acetamidophenyl)amino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid (CAS 97549-02-5)
- 9-(4-Bromophenyl)-3,6-di-tert-butyl-9H-carbazole (CAS 601454-33-5)
- 1-(Naphthalen-2-yl)pyrrolidine-2,5-dione (CAS 69971-90-0)
- n-(3-Hydroxypropyl)-3-(tetrahydrofuran-2-yl)propanamide (CAS 1156190-60-1)
- Maribavir Impurity N26 (CAS 176161-18-5)
- (2-(4-Chloro-2-methylphenoxy)pyridin-3-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (CAS 497060-65-8)
- 4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate (CAS 877636-12-9)
- (3-(Hydroxymethyl)pyrrolidin-1-yl)(phenyl)methanone (CAS 1249272-07-8)
- 5-Benzyl 1-methyl L-glutamate (CAS 57584-59-5)
- Methyl (2S)-1-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate (CAS 480453-61-0)
- Peptide 439 (CAS CATO-CPTD788439)
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