Pentyl N-benzoyl-N-(3-chloro-4-fluorophenyl)alaninate CAS 1396966-02-1
| CAS No. | 1396966-02-1 |
| Molecular Formula | C21H23ClFNO3 |
| Molecular Weight | 391.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Pentyl N-benzoyl-N-(3-chloro-4-fluorophenyl)alaninate (CAS 1396966-02-1), a certified reference material (molecular formula C21H23ClFNO3, MW 391.86 g/mol) for analytical method development and quality control.
Pentyl N-benzoyl-N-(3-chloro-4-fluorophenyl)alaninate (C21H23ClFNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C21H23ClFNO3 |
| Molecular Weight | 391.86 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- Ketorolac Impurity 56 (CAS CATO-C4X-166956)
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- Avanafil Impurity 89 (CAS 2250243-36-6)
- Haloperidol Impurity 9 (CAS 148406-51-3)
- Methyl (2S,4S)-4-(4-methyl-2-nitrophenoxy)-2-pyrrolidinecarboxylate hydrochloride (CAS 1354488-28-0)
- 2,3,4,5-Tetraphenyloxazol-3-ium tetrafluoroborate (CAS 81640-35-9)
- Methyl 4-((n-isopropylsulfamoyl)methyl)benzoate (CAS 1242825-11-1)
- 1-Methyl-4,7-dihydro-2H-4,7-ethanoisoindole (CAS 357608-23-2)
- 6-Ethyl-2-methylpyrimidin-4-amine (CAS 90008-43-8)
- 2-Chloro-5-(1-methyl-1H-pyrazol-3-yl)benzoic acid (CAS 1031418-17-3)
- 3-(Furan-2-yl)-1-(4-(methoxymethyl)piperidin-1-yl)propan-1-one (CAS 1355840-80-0)
- 4-Methylpyrimidine-2(1H)-thione hydrochloride (CAS 6959-66-6)
- Sodium (4aR,6R,7R,7aS)-6-(6-benzamido-9H-purin-9-yl)-7-hydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide (CAS 1135306-29-4)
- Semaglutide impurity 30 (CAS CATO-C4X-222630)
Why CATO?
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