5-Fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole CAS 400087-26-5
| CAS No. | 400087-26-5 |
| Molecular Formula | C23H17FN6S3 |
| Molecular Weight | 492.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5-Fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole (C23H17FN6S3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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).
5-Fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole (CAS 400087-26-5) is a high-purity analytical reference standard with the molecular formula C23H17FN6S3 and a molecular weight of 492.61 g/mol.
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), 5-Fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole 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 | C23H17FN6S3 |
| Molecular Weight | 492.61 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 3 |
Related Fluoro Standards
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- 5-Fluoro-6-iodo-1-(triisopropylsilyl)-4-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1261365-70-1)
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Recommended Standards
- 3-(4-Methoxyphenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477329-41-2)
- Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(thiophen-3-yl)-4H-pyran-3-carboxylate (CAS 445384-12-3)
- 3-(4-Methoxyphenyl)-2-((2-(3-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477329-25-2)
- rel-4-[[(4R)-4,5-Dihydro-4-phenyl-2-oxazolyl]methyl]-10-[[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]methyl]-1,7-dioxa-4,10-diazacyclododecane (CAS 562841-53-6)
- 2-Ethyl-2,3-dihydro-1-benzofuran-3-one (CAS 53614-65-6)
- Gallium(III) Bromide (CAS 13450-88-9)
- Methyl 6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 842150-13-4)
- 5-(2-Ethoxyphenyl)-3-hydrazono-2,3-dihydro-1H-1,2,4-triazole (CAS 299440-08-7)
- 2-Chloro-n-(2-chloro-4,6-dimethylphenyl)acetamide (CAS 444325-43-3)
- 1-Methyl-3-(3-(thiophen-2-yl)propyl)-1h-pyrazol-5-amine (CAS 1152656-87-5)
- 4-Chloro-2,5-difluoro-3-(chlorosulfonyl)benzoic acid (CAS 1242339-15-6)
- 5-Bromoacenaphthylene (CAS 7267-03-0)
- 4,6-Dimethoxy-3-methyl-1H-indole (CAS 74973-30-1)
- Met(O)14-Exenatide trifluoroacetate salt (CAS 1678417-38-3)
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