4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile CAS 477329-31-0
| CAS No. | 477329-31-0 |
| Molecular Formula | C25H21N3O2S2 |
| Molecular Weight | 459.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile.
CATO supplies 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 477329-31-0), a certified reference material (molecular formula C25H21N3O2S2, MW 459.58 g/mol) for analytical method development and quality control.
The molecular framework of 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile (C25H21N3O2S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C25H21N3O2S2 |
| Molecular Weight | 459.58 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Methoxyphenyl Standards
- 4-Methoxyphenyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonate (CAS 338400-25-2)
- Ethyl 2-(2-(4-methoxyphenyl)quinoline-4-carboxamido)-4,5-dimethylthiophene-3-carboxylate (CAS 337503-93-2)
- N-(2-methoxyphenyl)-2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333322-50-2)
- N-(4-methoxyphenyl)-2-((5-(2-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333313-43-2)
- Ethyl 3-((4-(3-methoxyphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 932520-32-6)
- Ethyl 3-((4-(4-methoxyphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 932354-29-5)
- Ethyl 5-(2-(2-((4-methoxyphenyl)amino)-2-oxoacetyl)-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate (CAS 477709-29-8)
- N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-4-nitro-N-(pyridin-2-yl)benzamide (CAS 155204-27-6)
Recommended Standards
- 3-Methyl-N-{2-[({5-oxo-2H,3H,5H-[1,3]thiazolo[2,3-b]quinazolin-3-yl}methyl)sulfanyl]phenyl}benzamide (CAS 477868-85-2)
- 4-Methyl-N-(2-(((5-oxo-2,3-dihydro-5H-thiazolo[2,3-b]quinazolin-3-yl)methyl)thio)phenyl)benzamide (CAS 477868-78-3)
- 2,3,4,5,6-Pentaphenylpyridine (CAS 40249-26-1)
- LY 517717 (CAS 313489-71-3)
- 3-bromo-8-methyl-naphthalen-1-amine (CAS 2387599-23-5)
- Equilin 3-Sulfate Sodium Salt (CAS 16680-47-0)
- Methyl 5-(trifluoromethyl)-1H-indazole-3-carboxylate (CAS 1643938-28-6)
- [(3Z)-2-Oxo-1-phenyl-2,3-dihydro-1H-indol-3-ylidene]amino propanoate (CAS 478261-19-7)
- Methyl (3R,4R)-4-aminotetrahydrofuran-3-carboxylate (CAS 1821713-20-5)
- N-(1-Ethyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide (CAS 49552-13-8)
- 2-{[(3,4-dimethoxyphenyl)methoxy]methyl}oxirane (CAS 66931-53-1)
- 2-(2-Bromo-4-methylphenoxy)-3-nitropyridine (CAS 1014239-59-8)
- 2,8-dimethyl-1,4-dihydro-1,5-naphthyridin-4-one (CAS 1637779-36-2)
- Tirzepatide Impurity 15 (CAS CATO-C4X-324015)
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