2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide CAS 477329-74-1
| CAS No. | 477329-74-1 |
| Molecular Formula | C22H17BrFN5OS |
| Molecular Weight | 498.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide.
CATO supplies 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (CAS 477329-74-1), a certified reference material (molecular formula C22H17BrFN5OS, MW 498.37 g/mol) for analytical method development and quality control.
Structurally, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (C22H17BrFN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 498.37 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.
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 | C22H17BrFN5OS |
| Molecular Weight | 498.37 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Bromophenyl Standards
- 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (CAS 477332-84-6)
- 5-((3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(sec-butyl)-2-thioxothiazolidin-4-one (CAS 623933-14-2)
- 1-(4-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 618432-01-2)
- Tris(4-bromophenyl)phosphane (CAS 29949-81-3)
- 4,4'-(2-(4-Bromophenyl)-2-phenylethene-1,1-diyl)bis(N,N-dimethylaniline) (CAS 1071547-23-3)
- 3-[(4-Bromophenyl)methyl]-16,19-dimethoxy-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaene (CAS 860787-06-0)
- 5-(4-Bromophenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 609793-41-1)
- Tris(4-bromophenyl)methanol (CAS 67705-84-4)
Recommended Standards
- 2-((3,4-Dichlorophenyl)amino)-2-oxoethyl 6-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)hexanoate (CAS 736955-23-0)
- 3-Bromo-5-Methyl-6-Nitro-1-Trityl-1H-Indazole (CAS 1695537-77-9)
- N-((2-Chloro-5-(N-(3-chlorophenyl)sulfamoyl)phenyl)carbamothioyl)-4-fluorobenzamide (CAS 379712-59-1)
- N-(4-bromo-2-methylphenyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-38-1)
- 2,4,8-Trichloroquinolin-3-amine (CAS 1447959-14-9)
- 2-Methylthieno[3,2-c]pyridin-4(5H)-one (CAS 59207-23-7)
- 1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 879329-83-6)
- (S)-1-(thiophen-3-yl)but-3-en-1-amine (CAS 1269914-52-4)
- 4-Chloro-3-(piperidin-1-yl)benzohydrazide (CAS 886494-69-5)
- 1-(5-Chloro-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one (CAS 937591-81-6)
- 5-(4-fluorophenyl)-3-[(2,3,3-trichloroacryloyl)amino]thiophene-2-carboxamide (CAS 648410-18-8)
- 2-Ethyl-N-(2-(thiophen-2-yl)ethyl)butan-1-amine (CAS 1021042-14-7)
- 1-(5-Bromo-2-chloropyridin-4-yl)ethan-1-one (CAS 1245915-91-6)
- Anxiety Peptide (CAS 95237-86-8)
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