Ethyl 4-{[2-(3,4-dichlorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate CAS 439111-37-2
| CAS No. | 439111-37-2 |
| Molecular Formula | C21H17Cl2N3O3S2 |
| Molecular Weight | 494.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 4-{[2-(3,4-dichlorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate 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.
Ethyl 4-{[2-(3,4-dichlorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 439111-37-2) is a high-purity analytical reference standard with the molecular formula C21H17Cl2N3O3S2 and a molecular weight of 494.41 g/mol.
Structurally, Ethyl 4-{[2-(3,4-dichlorobenzamido)phenyl]sulfanyl}-2-(methylsulfanyl)pyrimidine-5-carboxylate (C21H17Cl2N3O3S2) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 494.41 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C21H17Cl2N3O3S2 |
| Molecular Weight | 494.41 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Ethyl Standards
- Methyl 2-(2,4-dichlorobenzamido)-5-((3,5-dimethylphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335407-12-0)
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- Methyl 2-(2,4-dichlorobenzamido)-5-((4-ethoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 505095-97-6)
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- Methyl 2-(2,4-dichlorobenzamido)-5-(dipropylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 335407-57-3)
Recommended Standards
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- N-(4-Bromo-2-methylphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 477318-69-7)
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- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-phenoxyphenyl)acetamide (CAS 332154-67-3)
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- tert-Butyl 4-(6-acetamido-5-methylpyridin-3-yl)piperidine-1-carboxylate (CAS 1820614-58-1)
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