Ethyl 2-amino-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate hydrochloride CAS 1029989-63-6
| CAS No. | 1029989-63-6 |
| Molecular Formula | C15H17BrN2O4S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-amino-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate hydrochloride (CAS 1029989-63-6) is a high-purity analytical reference standard with the molecular formula C15H17BrN2O4SHCl and a molecular weight of 437.73 g/mol.
Structurally, Ethyl 2-amino-3-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate hydrochloride (C15H17BrN2O4SHCl) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 437.73 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H17BrN2O4S HCl |
| Molecular Weight | 437.73 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (1-(4-Chlorophenyl)ethyl)hydrazine hydrochloride (CAS 75333-16-3)
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- 5-Bromo-2-ethylpyridine (CAS 38749-90-5)
- 2-Bromo-3,5-bis(trifluoromethyl)aniline (CAS 174824-16-9)
- N-(3-Amino-5-cyclopropoxypyridin-4-yl)methanesulfonamide (CAS 1243396-30-6)
- tert-Butyl 4-(6-bromopyridin-2-yl)-2-methylpiperazine-1-carboxylate (CAS 1289388-42-6)
- Methyl 3-(methoxymethyl)-5-sulfamoylbenzoate (CAS 1480474-27-8)
- (Z)-ethyl 2-((6aR,8R,9aS)-8-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2,4,4-tetraisopropyl-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9(6aH,8H,9aH)-ylidene)acetate (CAS 185556-78-9)
- Methyl 2-amino-5-methoxy-3-methylbenzoate (CAS 1007113-24-7)
- Insulin Degludec Impurity 5 (CAS CATO-C4X-21575)
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