N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide CAS 477331-28-5
| CAS No. | 477331-28-5 |
| Molecular Formula | C22H16BrN5O3S |
| Molecular Weight | 510.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 510.36 g/mol gives N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477331-28-5), molecular formula C22H16BrN5O3S and molecular weight 510.36 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (C22H16BrN5O3S) is characterized by a steroid 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C22H16BrN5O3S |
| Molecular Weight | 510.36 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 | 5 |
| Sulfur Atoms | 1 |
Related N Standards
- N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477330-17-9)
- Benzyl (4-(4-(benzo[d][1,3]dioxol-5-yl)-3-(6-methylpyridin-2-yl)-1H-pyrazol-1-yl)cyclohexyl)carbamate (CAS 746667-75-4)
- 5,5'-(Benzo[c][1,2,5]selenadiazole-4,7-diyl) diisophthalic acid (CAS 1840869-92-2)
- 5,5'-(Benzo[c][1,2,5]thiadiazole-4,7-diylbis(ethyne-2,1-diyl))diisophthalicacid (CAS 2049078-65-9)
- 4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)butanamide (CAS 147779-46-2)
- 1-(1-(Benzo[b]thiophen-2-yl)cyclohexyl)-3-(fluoromethyl)piperidine (CAS 153567-18-1)
- 2-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CAS 1024146-71-1)
- 3-(Benzo[d]thiazol-2-yl)-6,8-dibromo-2-phenylquinazolin-4(3H)-one (CAS 82450-47-3)
Recommended Standards
- Triethoxy-1H,1H,2H,2H-tridecafluoro-n-octylsilane (CAS 51851-37-7)
- 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole (CAS 383145-80-0)
- BDP FL-PEG4-amine (CAS 2183473-14-3)
- 3-((2,4-Dichlorobenzyl)thio)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383145-96-8)
- 5-((5-Chloropyridin-2-yl)amino)-5-oxopentanoic acid (CAS 4121-54-4)
- 3A,4,11,11a-tetrahydrofuro[3,4-b]phenazine-1,3(5H,10H)-dione (CAS 412314-71-7)
- Berubicin (CAS 677017-23-1)
- (R)-3-(5-(1-aminoethyl)-1H-imidazol-1-yl)thietane 1,1-dioxide (CAS 1845060-29-8)
- N-(2-((2,3-Difluorobenzyl)thio)-6-(((2R,3R)-3,4-dihydroxybutan-2-yl)amino)pyrimidin-4-yl)azetidine-1-sulfonamide (CAS 1204707-71-0)
- 2-(2-(1-(4-(4-Bromophenyl)thiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid (CAS 314292-20-1)
- 1-(3-Bromo-4-methoxybenzyl)cyclopropan-1-amine (CAS 1260854-95-2)
- 3-Bromo-5-chloro-2-fluoro-6-iodobenzonitrile (CAS 1160574-20-8)
- Dichlorobisphenol S (CAS 46947-87-9)
- Peptide Impurity 34 (CAS 21282-09-7)
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