N-(2-Chloro-4-methylphenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide CAS 1040631-92-2
| CAS No. | 1040631-92-2 |
| Molecular Formula | C23H20ClN3O2S2 |
| Molecular Weight | 470.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(2-Chloro-4-methylphenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-(2-Chloro-4-methylphenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 1040631-92-2), a certified reference material (molecular formula C23H20ClN3O2S2, MW 470.01 g/mol) for analytical method development and quality control.
Structurally, N-(2-Chloro-4-methylphenyl)-2-{[3-methyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide (C23H20ClN3O2S2) 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 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 470.01 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C23H20ClN3O2S2 |
| Molecular Weight | 470.01 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
- N-(5-chloro-2-methylphenyl)-2-((3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040662-62-1)
- N-(2-chloro-4-methylphenyl)-2-((3-ethyl-4-oxo-7-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040683-13-3)
- N-(3-Chloro-2-methylphenyl)-2-({3-ethyl-4-oxo-7-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide (CAS 1223982-51-1)
- 6-Chloro-N2,N4-bis(4-(isopentyloxy)phenyl)-1,3,5-triazine-2,4-diamine (CAS 383903-67-1)
- 4'-Chloro-4-((phenylsulfonyl)methyl)-5-(pyridin-2-ylthio)-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one (CAS 303144-41-4)
- 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate 193687-61-5 (CAS 193687-61-5)
- N-(5-Chloro-2,4-dimethoxyphenyl)-2-[7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]acetamide (CAS 1207056-12-9)
- (15R)-5-[2-chloro-5-(ethoxymethyl)pyrimidin-4-yl]oxy-15-methyl-11-thia-6,14,17-triazatetracyclo[8.8.0²⁷.0¹²¹⁸]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one (CAS 1887069-10-4)
Recommended Standards
- N-(2-Chlorophenyl)-2-{[3-ethyl-7-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide (CAS 1040632-44-7)
- (2R)-2-[(1E)-3-(4’-Chloro-2’-methyl[1,1’-biphenyl]-3-yl)-3-hydroxy-1-propen-1-yl]-5-oxo-1-pyrrolidineheptanoic Acid (CAS 493035-81-7)
- N-(3-chlorophenyl)-2-((3-ethyl-4-oxo-7-(p-tolyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 1040632-48-1)
- Bis[D-tryptophanato(O,N)]copper(II) (CAS 57636-91-6)
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- Semaglutide impurity 97 (CAS CATO-C4X-222697)
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