4-{[(4-methylphenyl)methyl]sulfanyl}-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 478030-04-5
| CAS No. | 478030-04-5 |
| Molecular Formula | C26H19F3N2S3 |
| Molecular Weight | 512.63 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-methylphenyl)methyl]sulfanyl}-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 478030-04-5), a certified reference material (molecular formula C26H19F3N2S3, MW 512.63 g/mol) for analytical method development and quality control.
The molecular framework of 4-{[(4-methylphenyl)methyl]sulfanyl}-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (C26H19F3N2S3) 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 its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C26H19F3N2S3 |
| Molecular Weight | 512.63 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 | 2 |
| Sulfur Atoms | 3 |
Related methylphenyl Standards
- 6-[(4-Methylphenyl)thio]-2-oxo-9-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)-2,3-dihydropurine (CAS 135041-24-6)
- 1-Benzyl-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea (CAS 1796900-14-5)
- N-[(4-Methylphenyl)methyl]-6-[4-(5-{[(4-methylphenyl)methyl]carbamoyl}pentyl)piperazin-1-yl]hexanamide (CAS 1424350-54-8)
- 6-[(E)-2-(4-Methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyridine-3-carbonitrile (CAS 303985-30-0)
- 2-((2-((4-Methylphenyl)sulfonamido)phenyl)thio)-N-(4-morpholinophenyl)acetamide (CAS 866049-55-0)
- 2-((2-((4-Methylphenyl)sulfonamido)phenyl)thio)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide (CAS 478045-41-9)
- 4-(4-Ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1-(4-methoxybenzenesulfonyl)piperidine (CAS 478047-95-9)
- Methyl 3-{2-[(2-{2-[(3-methylphenyl)sulfanyl]acetamido}phenyl)sulfanyl]acetamido}thiophene-2-carboxylate (CAS 861212-53-5)
Recommended Standards
- Ganoderenic acid H (CAS 120462-48-8)
- Ganoderic acid F (CAS 98665-14-6)
- 23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oic acid (CAS 1085273-49-9)
- Pregnanetriol 3alpha-O-beta-D-Glucuronide (CAS 74915-85-8)
- 2-(3,4-Dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CAS 606116-41-0)
- 2-Propenoic acid, butyl ester, polymer with ethenyl 2-chloroacetate and 2-methoxyethyl 2-propenoate (CAS 26427-08-7)
- Cyclopropyl Bromide (CAS 4333-56-6)
- Methyl4-(1H-imidazol-2-yl)benzoate (CAS 125903-39-1)
- 2-Acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-D-galactose (CAS 3554-90-3)
- Erythropoietin Mimetic Peptide Sequence 20 (CAS 203397-62-0)
- 2-Bromo-1,1-difluoroethylene (CAS 359-08-0)
- Methyl 1-(4-(3-(4-(4-nitrophenyl)piperazin-1-yl)propoxy)benzyl)piperidine-4-carboxylate (CAS 860649-22-5)
- 4-Methyl-5-(2-phenylethyl)-4h-1,2,4-triazol-3-yl hydrosulfide (CAS 663181-83-7)
- Insulin Glargine (CAS 160337-95-1)
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