1,5-Diethyl (2Z,4Z)-4-[amino({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})methylidene]-2-cyanopent-2-enedioate CAS 338409-07-7
| CAS No. | 338409-07-7 |
| Molecular Formula | C21H23ClF3N5O4 |
| Molecular Weight | 501.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 501.89 g/mol gives 1,5-Diethyl (2Z,4Z)-4-[amino({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})methylidene]-2-cyanopent-2-enedioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1,5-Diethyl (2Z,4Z)-4-[amino({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})methylidene]-2-cyanopent-2-enedioate (CAS 338409-07-7), a certified reference material (molecular formula C21H23ClF3N5O4, MW 501.89 g/mol) for analytical method development and quality control.
Based on its molecular formula C21H23ClF3N5O4, 1,5-Diethyl (2Z,4Z)-4-[amino({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})methylidene]-2-cyanopent-2-enedioate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 501.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C21H23ClF3N5O4 |
| Molecular Weight | 501.89 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Diethyl Standards
- 3,5-Diethyl 6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxo-1,2-dihydropyridine-3,5-dicarboxylate (CAS 478030-87-4)
- Diethyl 1-(3,5-bis(trifluoromethyl)phenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate (CAS 96722-93-9)
- Diethyl 5-((R)-2-((R)-5-(3-chlorophenyl)-2-oxooxazolidin-3-yl)propyl)benzo[d][1,3]dioxole-2,2-dicarboxylate (CAS 139013-14-2)
- Diethyl 2-(((2-fluorophenyl)amino)((2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)thio)methylene)malonate (CAS 866153-23-3)
- Diethyl bis-(benzylthio)tetrathiafulvalene (CAS 698359-01-2)
- 1,4-Diethyl 2,5-dithieno[3,2-b]thien-2-yl-1,4-benzenedicarboxylate (CAS 1411976-67-4)
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Recommended Standards
- N4-(2-(4-Bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine (CAS 190437-45-7)
- 5-((4-Bromophenyl)thio)-4-(((4-chlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318959-34-1)
- Midazolam N-β-D-Glucuronide (~90%, contains ~10% inorganic salts) (CAS 1033824-50-8)
- 8-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-nitrophenyl)-1-oxa-4,8-diazaspiro[4.5]Decane-4-carbothioamide (CAS 338761-18-5)
- 1-(Thiophen-3-yl)cyclohexan-1-amine (CAS 861858-82-4)
- Methyl 6-carbamoylpicolinate (CAS 108129-47-1)
- (E)-(3-(4-chlorostyryl)-4-nitrophenyl)pentafluoro-lambda6-sulfane (CAS 1402089-66-0)
- 1-[(pyridin-2-yl)methyl]-1h-pyrazol-3-amine (CAS 1142952-12-2)
- 4-(4-(Trifluoromethyl)phenyl)-1H-imidazole (CAS 37148-86-0)
- (Rac)-Bedaquiline-d6 (CAS 2517573-53-2)
- 3-Oxa-6-azabicyclo[3.1.0]hexane (CAS 5834-36-6)
- 2-Benzyl-4,6-dichloropyrimidine (CAS 3740-82-7)
- 4-Bromo-3-methylbenzyl methanesulfonate (CAS 948350-91-2)
- FMRF Amide Related Peptide. (CAS 149471-12-5)
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