N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide CAS 391897-69-1
| CAS No. | 391897-69-1 |
| Molecular Formula | C23H18Br2N4OS |
| Molecular Weight | 558.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-69-1), molecular formula C23H18Br2N4OS and molecular weight 558.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide (C23H18Br2N4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 558.29 g/mol, it falls into the moderately-high-molecular-weight range. 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).
As a certified reference material (CRM), N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide 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 | C23H18Br2N4OS |
| Molecular Weight | 558.29 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 | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related N Standards
- 4-Bromobenzyl (5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)carbamate (CAS 956184-27-3)
- 3-((4-Bromobenzyl)thio)-5-(((2,6-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazole (CAS 344271-28-9)
- 3-(4-Bromobenzyl)-6,8-diiodoquinazolin-4(3H)-one (CAS 302913-28-6)
- 3-(((4-Bromobenzyl)sulfinyl)methyl)-5-((2,6-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344274-82-4)
- N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenylacetamide (CAS 389071-51-6)
- N-((5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide (CAS 389070-62-6)
- 3-(((4-Bromobenzyl)sulfinyl)methyl)-5-((4-bromobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344274-77-7)
- 3-(((4-Bromobenzyl)sulfinyl)methyl)-5-((2,6-dichlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazole (CAS 344275-04-3)
Recommended Standards
- 1,4-Bis(heptyloxy)-2,5-diiodobenzene (CAS 149762-42-5)
- 3,3'',5,5''-Tetrakis(trifluoromethyl)-[1,1':4',1''-terphenyl]-2',5'-dicarbaldehyde (CAS 2368851-11-8)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one (CAS 344276-82-0)
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- EPZ005687 (CAS 1396772-26-1)
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