Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate CAS 477329-64-9
| CAS No. | 477329-64-9 |
| Molecular Formula | C23H18BrN5O3S |
| Molecular Weight | 524.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 524.39 g/mol gives Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 477329-64-9) is a high-purity analytical reference standard with the molecular formula C23H18BrN5O3S and a molecular weight of 524.39 g/mol.
Structurally, Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (C23H18BrN5O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 524.39 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate 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 | C23H18BrN5O3S |
| Molecular Weight | 524.39 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 Methyl Standards
- 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 477329-24-1)
- 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 477329-83-2)
- (Z)-[(4-Bromophenyl)[2-(4-chlorophenyl)cyclopropyl]methylidene]amino 3,4-dichlorobenzoate (CAS 338415-64-8)
- Methyl 4-(2-((5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 332934-88-0)
- (5-((4-Bromophenyl)sulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 2-methylbenzoate (CAS 318289-22-4)
- 3-(4-Bromophenyl)-2-((2-oxo-2-(p-tolyl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 476484-19-2)
- 1-(1-(4-Bromophenyl)ethyl)-4-((tert-butyldiphenylsilyl)oxy)piperidine (CAS 1704096-96-7)
- 2-[(4-Bromophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile (CAS 341964-90-7)
Recommended Standards
- Mal-amido-PEG3-C1-PFP ester (CAS 2101206-13-5)
- (S)-4-Benzyl-3-[(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl) propanoyl]-2-oxazolidinone (CAS 917379-10-3)
- 4-Bromo-N'-(2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)benzohydrazide (CAS 332910-55-1)
- Tedizolid impurity 107 (CAS 1239662-42-0)
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- (3-Bromo-2-fluorophenyl)(cyclopropyl)methanone (CAS 1428881-43-9)
- 5-(2-Fluorobenzyl)-4-methylthiazol-2-amine (CAS 1040331-87-0)
- Ethyltri-n-propyltin (CAS 3440-79-7)
- 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-ol (CAS 289487-86-1)
- Tenofovir Disoproxil Impurity 44 (CAS 201340-97-8)
- 2-(P-tolyl)thiazole-5-carboxylic acid (CAS 886369-98-8)
- 7-Bromo-6-methoxy-2,3-dihydro-1H-inden-1-one (CAS 892152-26-0)
- 4-Amino-1-(2-fluoroethyl)-1H-pyrazole-3-carboxamide (CAS 1429419-56-6)
- Peptide 441 (CAS CATO-CPTD788441)
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