Benzoic acid, 4-methyl-, 3-[7-cyano-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indol-1-yl]propyl ester CAS 1638212-09-5
| CAS No. | 1638212-09-5 |
| Molecular Formula | C33H36F3N3O4 |
| Molecular Weight | 595.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Benzoic acid, 4-methyl-, 3-[7-cyano-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indol-1-yl]propyl ester is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Benzoic acid, 4-methyl-, 3-[7-cyano-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indol-1-yl]propyl ester (CAS 1638212-09-5), molecular formula C33H36F3N3O4 and molecular weight 595.65 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, Benzoic acid, 4-methyl-, 3-[7-cyano-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indol-1-yl]propyl ester is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 595.65 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C33H36F3N3O4 |
| Molecular Weight | 595.65 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Benzoic Standards
- Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 4-(1,1-dimethylethyl)-2-[5-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-3-benzofuranyl]phenyl ester (CAS 1261240-30-5)
- Benzoic Acid impurity 8 (CAS 467215-91-4)
- Benzoic acid 3-[4-(acridine-9-carbonyl)-piperazin-1-yl]-phenyl ester (CAS 1029773-06-5)
- Benzoic acid, 3,5-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-, methyl ester (CAS 1798824-06-2)
- Benzoic acid, 4-[[bis[(1,1-dimethylethoxy)carbonyl]amino][[(1,1- dimethylethoxy)carbonyl]imino]methyl]-, methyl ester (CAS 135321-85-6)
- Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, ethyl ester (CAS 1065604-70-7)
- 1311283-70-1 4-Cl-benzoic acid N'-[1-[3-(6-dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-meth-(E)-ylidene]-N-methyl-hydrazide MFCD19981250 (CAS 1311283-70-1)
- Benzoic acid 1S-(2S-hydroxy-5-methoxymethoxy-1S,5-dimethyl-hex-3-enyl)-7R-methyl-octahydro-inden-4-ylester (CAS 100937-70-0)
Recommended Standards
- N-tert-Butyloxycarbonyl Silodosin (CAS 160970-07-0)
- Methyl 5-[(E)-2-[4-chloro-3-(2,6-dichlorophenyl)-[1,2]oxazolo[4,5-c]pyridin-7-yl]ethenyl]-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate (CAS 338773-09-4)
- Selexipag Impurity 3 (CAS CATO-C4X-19613)
- S-(5-Nitro-2-benzyloxy)phenyl-N-tert-butyloxycarbonyl-L-cysteinyl-glycine Benzyl Ester (CAS 1798903-59-9)
- N,N,N-Trimethyl-3-oxo-3-phenylpropan-1-aminium chloride (CAS 67190-44-7)
- 2-((tert-Butoxycarbonyl)amino)-5,5,5-trifluoropentanoic acid (CAS 1454913-78-0)
- (1R,4S,6R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid (CAS 863583-35-1)
- (S)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)acetic acid (CAS 258530-58-4)
- Bis(4-(1H-imidazol-1-yl)phenyl)methanone (CAS 343375-12-2)
- 2-(1H-Benzoimidazol-2-yl)-1-(4-nitro-phenyl)-ethanone (CAS 327091-99-6)
- 3-Ethoxyisonicotinaldehyde (CAS 1551494-41-7)
- 3-((4,6-Dimethylpyrimidin-2-yl)oxy)benzoic acid (CAS 927981-91-7)
- 4-(1-Butyl-1-cyclopentylsulfonyl)phenylboronic acid (CAS 2377610-15-4)
- Insulin Pork(≥27 USP units/mg) (CAS 12584-58-6)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com