N-(2-Chloro-4,6-dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide CAS 586993-85-3
| CAS No. | 586993-85-3 |
| Molecular Formula | C22H24ClN3O2S2 |
| Molecular Weight | 462.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(2-Chloro-4,6-dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)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-4,6-dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 586993-85-3), a certified reference material (molecular formula C22H24ClN3O2S2, MW 462.03 g/mol) for analytical method development and quality control.
Based on its molecular formula C22H24ClN3O2S2, N-(2-Chloro-4,6-dimethylphenyl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 462.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C22H24ClN3O2S2 |
| Molecular Weight | 462.03 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-(4-((2,4-Dichlorobenzyl)oxy)-3-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706448-72-7)
- 1,2-Bis(4-iodophenyl)ethane-1,2-dione (CAS 65699-84-5)
- 3-Methyladipoyl Chloride (CAS 44987-62-4)
- Methyl 2-amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 452088-34-5)
- (α-1-Naphthyl)(α-N,N-dimethylamino)acetonitrile (CAS 885-22-3)
- N-(3-Amino-4-chlorophenyl)-2-(2-ethoxyethoxy)-benzamide (CAS 1020054-59-4)
- 2-Chloro-6-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol (CAS 1806929-86-1)
- cis-3-fluorooxan-4-amine hydrochloride (CAS 1630906-37-4)
- DCG04 (CAS 314263-42-8)
- 614756-39-7 Benzenethiol, 4,4'-(1E)-1,2-ethenediylbis- CTK2D9191 (CAS 614756-39-7)
- 5-(Hydroxymethyl)-2-methoxybenzonitrile (CAS 310424-35-2)
- Liraglutide(8-31)TFA Salt (CAS CATO-C4X-19922)
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