3-Ethyl-2-((3-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 578722-36-8
| CAS No. | 578722-36-8 |
| Molecular Formula | C20H19F3N2OS2 |
| Molecular Weight | 424.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-Ethyl-2-((3-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C20H19F3N2OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
3-Ethyl-2-((3-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 578722-36-8) is a high-purity analytical reference standard with the molecular formula C20H19F3N2OS2 and a molecular weight of 424.50 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-Ethyl-2-((3-(trifluoromethyl)benzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one 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 | C20H19F3N2OS2 |
| Molecular Weight | 424.50 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Ethyl Standards
- 1-Phenyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 439096-28-3)
- 5-[3-(Trifluoromethyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile (CAS 338964-89-9)
- 6-[3-(Trifluoromethyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile (CAS 252060-04-1)
- 6-Phenyl-4-(trifluoromethyl)-2-{[4-(trifluoromethyl)phenyl]sulfanyl}pyridine-3-carbonitrile (CAS 338749-50-1)
- 3,3-Bis(trifluoromethyl)-1-bromo-4,4,5,5,6,6,6-heptafluorohex-1-ene (CAS 128454-94-4)
- 4-(Trifluoromethyl)-5-(tributylstannyl)pyrazole (CAS 790661-62-0)
- 5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl][1,8]naphthyridin-2-amine (CAS 241488-36-8)
- 16,18-Bis(trifluoromethyl)-3,13,19-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-14-one (CAS 860785-41-7)
Recommended Standards
- 3-(5-(4-Methylpiperazin-1-yl)-1H,1'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenol (CAS 132869-83-1)
- 4-(5-(4-Methylpiperazin-1-yl)-1H,1'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenol (CAS 23491-44-3)
- 2-(2-(Methylthio)pyrimidin-4-yl)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)ethan-1-one (CAS 1111638-52-8)
- 6-((2,2-Diphenylethyl)amino)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-carbonitrile (CAS 264608-17-5)
- Trifluoperazine Impurity 5 (CAS 150111-58-3)
- (3-Aminoazetidin-1-yl)(naphthalen-1-yl)methanone (CAS 1275804-86-8)
- tert-Butyl (1-hydroxyhexan-3-yl)carbamate (CAS 936475-27-3)
- (3-Methyl-1,2,4-thiadiazol-5-yl)methanamine (CAS 1480863-50-0)
- 3-Ethyl-7-fluoro-2-hydroxyquinolin-4(1H)-one (CAS 686280-08-0)
- 5-Methylfuran-2-carbonyl chloride (CAS 14003-11-3)
- 2-Chloro-n-(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 941055-93-2)
- Empagliflozin impurity 318 (CAS CATO-C4X-1065318)
- 5-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS 1203683-41-3)
- D-Phe6-Tirzepatide (CAS CATO-CPTD788925)
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