Ethyl 2-((5-(((4-bromophenyl)sulfonamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoate CAS 338794-58-4
| CAS No. | 338794-58-4 |
| Molecular Formula | C16H21BrN4O4S2 |
| Molecular Weight | 477.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-((5-(((4-bromophenyl)sulfonamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-((5-(((4-bromophenyl)sulfonamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoate (CAS 338794-58-4), molecular formula C16H21BrN4O4S2 and molecular weight 477.40 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2-((5-(((4-bromophenyl)sulfonamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoate (C16H21BrN4O4S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), Ethyl 2-((5-(((4-bromophenyl)sulfonamido)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)propanoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H21BrN4O4S2 |
| Molecular Weight | 477.40 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Ethyl Standards
- 4-(((2-(4-Bromophenyl)pyrazolo[1,5-a]pyrazin-4-yl)thio)methyl)-5-methyl-2-phenyloxazole (CAS 1207056-61-8)
- N-(3-Bromophenyl)-2-(N-(1-isopropyl-1H-pyrazol-5-yl)phenylsulfonamido)acetamide (CAS 957041-45-1)
- (E)-3-((3-bromophenyl)amino)-1-(4-((2,4-dichlorobenzyl)oxy)phenyl)prop-2-en-1-one (CAS 477889-39-7)
- 4-{[(4-bromophenyl)sulfanyl]methyl}-1-(4-chlorobenzenesulfonyl)piperidin-4-ol (CAS 478041-70-2)
- 5-(3-Bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-2(5H)-one (CAS 618074-48-9)
- 1-(4-Bromophenyl)-2-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one (CAS 303994-43-6)
- (5-((4-Bromophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 2,2-dichloroacetate (CAS 957010-41-2)
- 6-((3-(3-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(3-methylbenzyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1040640-41-2)
Recommended Standards
- 4-(2,4-Dichlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]-6-(4-methylphenyl)pyridine-3-carbonitrile (CAS 341964-88-3)
- Fmoc-pentafluoro-Phe-OH (CAS 205526-32-5)
- N-(5-(N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)sulfamoyl)-4-methylthiazol-2-yl)acetamide (CAS 1335106-03-0)
- Arbidol (CAS 131707-25-0)
- 2-(4-Ethoxyphenyl)isonicotinic acid (CAS 1226063-99-5)
- Methyl 3-cyano-3-methylbutanoate (CAS 132218-55-4)
- 4-fluorobenzyl isocyanate (CAS 132740-43-3)
- 4-N-Fmoc-Aminopiperidine hydrochloride (CAS 221352-86-9)
- 2-Chloro-1-(3-(dimethylamino)piperidin-1-yl)ethanone (CAS 1353958-60-7)
- 1-Ethyl-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazole-3-carboxamide (CAS 1208625-45-9)
- Benzyl N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)carbamate (CAS 42384-22-5)
- 1-Chloro-4-nitroanthracene-9,10-dione (CAS 6337-82-2)
- 7-Hydroxy-2-(2-hydroxyphenyl)-4H-chromen-4-one (CAS 77298-66-9)
- Fibrinopeptide A, human TFA (CAS 61533-47-9)
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