11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[3-(trifluoromethyl)phenoxy]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 439111-32-7
| CAS No. | 439111-32-7 |
| Molecular Formula | C26H20F3N3OS2 |
| Molecular Weight | 511.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 511.58 g/mol gives 11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[3-(trifluoromethyl)phenoxy]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[3-(trifluoromethyl)phenoxy]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 439111-32-7) is a high-purity analytical reference standard with the molecular formula C26H20F3N3OS2 and a molecular weight of 511.58 g/mol.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[3-(trifluoromethyl)phenoxy]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 511.58 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 11,13-Dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-[3-(trifluoromethyl)phenoxy]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene 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 | C26H20F3N3OS2 |
| Molecular Weight | 511.58 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-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Dimethyl Standards
- 3-(N-(1,3-Dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzoic acid (CAS 1884199-58-9)
- 9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene 856405-77-1 4,5-BIS(DI-TERT-BUTYLPHOSPHINO)-9,9-DIMETHYLXANTHENE;9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENE;9,9-DIMETHYL-4,5-BIS(DI-TERT-BUTYLPHOSPHINO)XANTHENE;T-BU-XANTPHOS SC11340 (CAS 856405-77-1)
- Dimethyl 5,5'-((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(2,2-dimethylpentanoate) (CAS 111278-01-4)
- 6,6'-Dimethyl 5,5'-dibromo-2H,2'H,3H,3'H-[1,1'-biindole]-6,6'-dicarboxylate (CAS 2007910-50-9)
- 6-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine (CAS 956181-70-7)
- Methyl 2-((5,6-dimethyl-2H-pyran-2-yl)(ethoxy)amino)-5-((4-(ethoxycarbonyl)phenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335407-47-1)
- Dimethyl 2-(4-((3-(benzyloxy)phenyl)thio)-2-chlorophenethyl)-2-methoxymalonate (CAS 1023648-23-8)
- 1,1'-(2,5-Dimethyl-1,4-phenylene)dipyrene (CAS 1036404-84-8)
Recommended Standards
- Verruculogen (CAS 12771-72-1)
- 2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 337499-41-9)
- Cefetamet Pivoxil (CAS 65243-33-6)
- 3-Amino-N,4,6-tris(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 332156-07-7)
- 2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-(4-fluorophenyl)ethan-1-one (CAS 428860-42-8)
- (4-Aminophenyl)acetonitrile hydrochloride (CAS 3457-99-6)
- 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran (CAS 36992-21-9)
- Cyclohexanol-2-(4-Tert-Butyl-Phenoxy) (CAS 1942-71-8)
- (Z)-isopropyl 3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylate (CAS 1333152-22-9)
- Olmesartan Impurity 45 (CAS 866721-92-8)
- n-(4-Hydroxyphenyl)-2-(methylsulfanyl)acetamide (CAS 862248-42-8)
- 5-Amino-3-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid (CAS 67159-70-0)
- Ethyl(2Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidenE)acetate (CAS 27653-75-4)
- Semaglutide Impurity 11 (CAS CATO-C4X-222611)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com