Ethyl 2-[(2E)-3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioamido]acetate CAS 338966-45-3
| CAS No. | 338966-45-3 |
| Molecular Formula | C18H22ClN5O2S |
| Molecular Weight | 407.92 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.
CATO supplies Ethyl 2-[(2E)-3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioamido]acetate (CAS 338966-45-3), a certified reference material (molecular formula C18H22ClN5O2S, MW 407.92 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Ethyl 2-[(2E)-3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioamido]acetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 407.92 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures Ethyl 2-[(2E)-3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioamido]acetate 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 | C18H22ClN5O2S |
| Molecular Weight | 407.92 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Recommended Standards
- 2-(2-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,3-benzimidazol-1-yl)-N-phenylacetamide (CAS 339100-85-5)
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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