4-(3-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acrylamido)benzamide CAS 477330-09-9
| CAS No. | 477330-09-9 |
| Molecular Formula | C22H17BrN6O2S |
| Molecular Weight | 509.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 509.38 g/mol gives 4-(3-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acrylamido)benzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 4-(3-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acrylamido)benzamide (CAS 477330-09-9), a certified reference material (molecular formula C22H17BrN6O2S, MW 509.38 g/mol) for analytical method development and quality control.
Based on its molecular formula C22H17BrN6O2S, 4-(3-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acrylamido)benzamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 509.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C22H17BrN6O2S |
| Molecular Weight | 509.38 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 4-(3-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acrylamido)benzamide (CAS 477329-29-6)
- 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide (CAS 477329-61-6)
- 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide (CAS 477330-35-1)
- 2-((5-(2-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide (CAS 332870-65-2)
- (Z)-[(4-Bromophenyl)[2-(4-chlorophenyl)cyclopropyl]methylidene][(2,4-dichlorophenyl)methoxy]amine (CAS 338749-09-0)
- N-(4-Bromophenyl)-3-(N-(4-bromophenyl)sulfamoyl)benzamide (CAS 300670-16-0)
- (E)-6-(4-bromophenyl)imidazo[2,1-b]thiazole-5-carbaldehyde O-(2-(3-(trifluoromethyl)phenoxy)ethyl) oxime (CAS 691887-91-9)
- 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-isopropylphenyl)acetamide (CAS 477330-77-1)
Recommended Standards
- (1-(tert-butoxycarbonyl)-5-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-1H-indol-2-yl)boronic acid (CAS 503045-77-0)
- tert-Butyl 3-(((perfluorobutyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]octane-8-carboxylate (CAS 1956367-22-8)
- Macitentan Impurity 16 (CAS 2211059-00-4)
- N-[2-[[6-(2,6-Dichloro-3,5-dimethoxyphenyl)-2-quinazolinyl]amino]-3-methylphenyl]acrylamide (CAS 1538604-68-0)
- 3-(3-CArboxypropanamido)-4-methylbenzoic acid (CAS 351983-79-4)
- 1-(3,5-dimethylphenyl)hexahydropyrimidine-2,4-dione (CAS 871504-35-7)
- 10-Phenylacridarsine (CAS 28660-45-9)
- 6-Chloro-8-iodo-9H-purine (CAS 1801425-40-0)
- Carbamic acid, ethyl-, 7-[[[(ethylamino)carbonyl]oxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)- (CAS 34258-12-3)
- (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2-isopropyl-phenyl)-amine (CAS 102389-18-4)
- N-(2-Fluoro-5-methylphenyl)acetamide (CAS 325-74-6)
- (E)-8-styryl-7H-purin-6-amine (CAS 1189195-52-5)
- (3S,3AR,6aS)-2-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 477713-61-4)
- [α-Glu](Sidechain trans-position)-Liraglutide (CAS CATO-C4X-199240)
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