3-(4-Chlorophenyl)-2-((2-oxo-2-(p-tolyl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 445220-56-4
| CAS No. | 445220-56-4 |
| Molecular Formula | C25H21ClN2O2S2 |
| Molecular Weight | 481.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-(4-Chlorophenyl)-2-((2-oxo-2-(p-tolyl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C25H21ClN2O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 481.03 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.
CATO supplies 3-(4-Chlorophenyl)-2-((2-oxo-2-(p-tolyl)ethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 445220-56-4), a certified reference material (molecular formula C25H21ClN2O2S2, MW 481.03 g/mol) for analytical method development and quality control.
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 | C25H21ClN2O2S2 |
| Molecular Weight | 481.03 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 2-((2-(2-Chlorophenyl)-2-oxoethyl)thio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 618432-24-9)
- 4-((4-Chlorophenyl)((1-(1-phenylcyclobutyl)ethylidene)hydrazono)methyl)phenyl methanesulfonate (CAS 78929-83-6)
- 2-((5-(3-Chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-isopropylphenyl)acetamide (CAS 868255-48-5)
- N-(4-Chlorophenyl)-2-((5-((4-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332912-62-6)
- 4-(4-Chlorophenyl)-2-[(4-methylphenyl)sulfanyl]-6-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CAS 303984-65-8)
- 3-((4-Chlorophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606953-66-6)
- 3-Chlorophenyl-4'-nitrophenyl ether (CAS 2303-23-3)
- 1022065-74-2 1,3-Bis(4-chlorophenyl)-5-((4-ethoxyphenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione MFCD04154225 (CAS 1022065-74-2)
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