4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 439111-35-0
| CAS No. | 439111-35-0 |
| Molecular Formula | C26H19ClF3N3S3 |
| Molecular Weight | 562.09 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.
CATO supplies 4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 439111-35-0), a certified reference material (molecular formula C26H19ClF3N3S3, MW 562.09 g/mol) for analytical method development and quality control.
4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (C26H19ClF3N3S3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO manufactures 4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C26H19ClF3N3S3 |
| Molecular Weight | 562.09 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 3 |
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- N4,N9-Dimethylspermine (CAS 61345-87-7)
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- 2-Bromo-6-phenylpyridine (CAS 39774-26-0)
- Ni(3,5-Mestb)3 (CAS 2468315-69-5)
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- Mast Cell Degranulating Peptide (CAS 83856-13-7)
Why CATO?
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- 130,000+ catalog items in stock, COA supplied with every batch
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