(E)-Ethyl 2-(3-(bis(2-chloroethyl)amino)acrylamido)-3-(1H-indol-3-yl)propanoate CAS 18450-46-9
| CAS No. | 18450-46-9 |
| Molecular Formula | C20H25Cl2N3O3 |
| Molecular Weight | 426.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-Ethyl 2-(3-(bis(2-chloroethyl)amino)acrylamido)-3-(1H-indol-3-yl)propanoate (CAS 18450-46-9), molecular formula C20H25Cl2N3O3 and molecular weight 426.34 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, (E)-Ethyl 2-(3-(bis(2-chloroethyl)amino)acrylamido)-3-(1H-indol-3-yl)propanoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 426.34 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 | C20H25Cl2N3O3 |
| Molecular Weight | 426.34 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 3,5-Dimethyl-1-(4-methylbenzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-Dioxaborolan-2-yl)-1H-indazole (CAS 1421252-90-5)
- (2-Chloro-4-(4-chlorophenoxy)phenyl)(1-methyl-4-phenylpyrrolidin-3-yl)methanone (CAS 478050-09-8)
- Sucrose 1,6,6'-Tricarboxylate Trimethyl Ester (CAS 289711-92-8)
- (2E)-1-{3-[(2,4-dichlorophenyl)methoxy]phenyl}-3-[(4-ethylphenyl)amino]prop-2-en-1-one (CAS 478046-59-2)
- Ethyl 3-(2-bromophenyl)propionate (CAS 135613-33-1)
- N-(2-(2-propylphenoxy)ethyl)acetamide (CAS 491601-87-7)
- N-[2-(Indol-3-yl-2,4,5,6,7-d5)acetyl]-L-alanine-15N (CAS 1201012-70-5)
- 3-(4-(Hydroxymethyl)-1H-imidazol-1-yl)propanenitrile (CAS 681235-11-0)
- (3Z,5Z)-Octa-3,5-dien-1-ol (CAS 10160-16-4)
- 2-Amino-N-(4-fluorophenyl)quinoline-3-carboxamide (CAS 524036-16-6)
- tert-Butyl N-[2-(butylamino)ethyl]carbamate (CAS 1003707-56-9)
- (4-Ethoxyphenyl)(pyrrolidin-1-yl)methanone (CAS 282104-34-1)
- 3-[3-(furan-2-yl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]propanamide (CAS 929973-33-1)
- [2-31]-Semaglutide C (x TFA Salt) (CAS CATO-C4X-2226118)
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