2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine CAS 478030-10-3
| CAS No. | 478030-10-3 |
| Molecular Formula | C25H17F3N2OS2 |
| Molecular Weight | 482.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478030-10-3), a certified reference material (molecular formula C25H17F3N2OS2, MW 482.54 g/mol) for analytical method development and quality control.
The molecular framework of 2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine (C25H17F3N2OS2) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 2-((4-Methylbenzyl)thio)-4-(3-(trifluoromethyl)phenoxy)benzo[4,5]thieno[3,2-d]pyrimidine 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 | C25H17F3N2OS2 |
| Molecular Weight | 482.54 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 | 2 |
Related Methylbenzyl Standards
- 3-(4-Methylbenzyl)-5-((1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 623934-76-9)
- 3-((4-Methylbenzyl)sulfonyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383145-88-8)
- 3-((3-Methylbenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 956625-77-7)
- 3-((4-Methylbenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 955961-69-0)
- 4-Methylbenzyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate (CAS 63170-50-3)
- 2-(Methyl(4-methylbenzyl)amino)-2-oxoethyl 4,5-dibromothiophene-2-carboxylate (CAS 852934-82-8)
- 5-(4-((4-Methylbenzyl)oxy)phenyl)-N'-(naphthalen-1-ylmethylene)-1H-pyrazole-3-carbohydrazide (CAS 634896-56-3)
- 3-((4-Methylbenzyl)thio)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383145-78-6)
Recommended Standards
- N-[(9R)-6'-Methoxycinchonan-9-yl]-4-trifluoromethyl-1,2-benzenediamine (CAS 1404088-26-1)
- 9-Fluoro-11β,17-dihydroxy-16α,21-bis(methoxymethoxy)-pregna-1,4-diene-3,20-dione (CAS 2822-16-4)
- N-[(8α,9S)-6'-Methoxycinchonan-9-yl]-4-trifluoromethyl-1,2-benzenediamine (CAS 1404088-23-8)
- (R)-(2'-Ethyl-[1,1'-binaphthalen]-2-yl)diphenylphosphine oxide (CAS 137769-29-0)
- 3-(Bromomethyl)picolinonitrile hydrobromide (CAS 2089291-86-9)
- 2-(3,5-Dimethyl-1H-pyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide (CAS 1173770-07-4)
- L-Histidine-13C6,15N3 hydrochloride hydrate (CAS 202468-43-7)
- Cefazedone Impurity 23 (CAS 64485-88-7)
- (3,4-dibromopyrrol-1-yl)-triisopropyl-silane (CAS 93362-54-0)
- 1177344-05-6 3-(Hydrazinomethyl)-N,N-dimethylaniline dihydrochloride MFCD11052317 (CAS 1177344-05-6)
- Ethyl 3-(dibutylamino)propanoate (CAS 20120-23-4)
- 5-Phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 142954-77-6)
- 2-(Tert-butoxy)-4-chloroaniline (CAS 1181302-84-0)
- Tau Peptide (401-411)-Lys-Lys trifluoroacetate salt (CAS 2022956-59-6)
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