7-(4-Bromophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one CAS 1242861-55-7
| CAS No. | 1242861-55-7 |
| Molecular Formula | C22H18BrFN4OS |
| Molecular Weight | 485.37 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 7-(4-Bromophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one.
CATO supplies 7-(4-Bromophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1242861-55-7), a certified reference material (molecular formula C22H18BrFN4OS, MW 485.37 g/mol) for analytical method development and quality control.
Structurally, 7-(4-Bromophenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(1H)-one (C22H18BrFN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 485.37 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C22H18BrFN4OS |
| Molecular Weight | 485.37 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 3-Ethyl 5-methyl 2-{[2-(2-chloroacetamido)ethoxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 743452-10-0)
- (2E)-3-{4-[(2,4-dichlorophenyl)methoxy]phenyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (CAS 477888-67-8)
- (S)-2-Di(tert-butyloxycarbonyl)amino-4-iodo-butanoic Acid tert-Butyl Ester (CAS 1798902-92-7)
- 1-(2,6-Dichlorobenzyl)-3'-(4-methoxyphenyl)spiro[indoline-3,2'-thiazolidine]-2,4'-dione (CAS 400081-78-9)
- L-Homocysteine thiolactone hydrochloride (CAS 31828-68-9)
- N-((1-Isopropyl-1H-pyrazol-4-yl)methyl)-N-methylpyrrolidin-3-amine (CAS 1698791-34-2)
- 3-((2-Methylcyclopentyl)amino)benzonitrile (CAS 1478130-53-8)
- 8-Ethoxy-5,6-dihydroquinoline-2-carboximidamide (CAS 399042-46-7)
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- 4-(Allyloxy)-5-bromo-2-hydroxybenzaldehyde (CAS 1352526-87-4)
- Ethyl 4-methoxybenzo[d]isoxazole-3-carboxylate (CAS 1352395-58-4)
- 2,6-difluorobenzaldehyde oxime (CAS 19064-16-5)
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