4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid CAS 477330-71-5
| CAS No. | 477330-71-5 |
| Molecular Formula | C25H22N2O4S2 |
| Molecular Weight | 478.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 478.58 g/mol gives 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid (CAS 477330-71-5) is a high-purity analytical reference standard with the molecular formula C25H22N2O4S2 and a molecular weight of 478.58 g/mol.
4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid (C25H22N2O4S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), 4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid 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 | C25H22N2O4S2 |
| Molecular Weight | 478.58 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Methoxyphenyl Standards
- 2-(4-Methoxyphenyl)-4-oxo-4H-chromen-3-yl 2,3,4,5,6-pentamethylbenzene-1-sulfonate (CAS 301193-63-5)
- 4-[4-(4-Methoxyphenyl)pyrimidin-2-yl]phenyl 3,4-dimethoxybenzene-1-sulfonate (CAS 477857-11-7)
- Ethyl 5-(4-methoxyphenyl)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 300723-22-2)
- 2'-((2-(4-Methoxyphenyl)acetamido)methyl)-N-(2-(pyridin-3-yl)ethyl)-[1,1'-biphenyl]-2-carboxamide (CAS 498577-53-0)
- 3-(4-Methoxyphenyl)-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 477331-59-2)
- 5-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-(4-methylbenzenesulfonyl)-4,5,6,7-tetrahydro-1H-indol-4-one (CAS 439094-50-5)
- 2-(4-Methoxyphenyl)-4-oxo-4H-chromen-3-yl 2,4-dichlorobenzenesulfonate (CAS 301193-70-4)
- 2-(4-Methoxyphenyl)-4-oxo-4H-chromen-3-yl 2,5-dichlorobenzene-1-sulfonate (CAS 298215-72-2)
Recommended Standards
- 3-Hydroxy-4-(4-methylbenzoyl)-1-(3-morpholinopropyl)-5-(4-propoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 618074-62-7)
- 5,5'-(1,2-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde) (CAS 955949-60-7)
- 1,4-Di(1-pyrenyl)benzene (CAS 475460-77-6)
- 5,5'-(1,3-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde) (CAS 943407-01-0)
- N-{[2-(2-Chlorobenzoyl)hydrazino]carbothioyl}-2-thiophenecarboxamide (CAS 649547-08-0)
- 12-Methyl-1,4-dioxa-9,12-diazadispiro[4.2.5.2]pentadecan-13-one (CAS 1934885-68-3)
- 4-(Furan-2-yl)-2-oxobut-3-enoic acid (CAS 5809-67-6)
- 5,7-Dichloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline (CAS 1248120-00-4)
- 5-Thioxo-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide (CAS 124558-05-0)
- 3-Chloro-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one (CAS 1357097-06-3)
- Tert-butyl(2r,4s)-2-(hydroxymethyl)-4-methoxy-pyrrolidine-1-carboxylate (CAS 1147107-22-9)
- 1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione (CAS 3720-98-7)
- Ethyl 4-hydroxythieno[2,3-b]pyridine-5-carboxylate (CAS 55503-31-6)
- Neuroendocrine Regulatory Peptide-1 (human) (H-6622.1000) (CAS 954420-50-9)
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