Ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate CAS 478065-46-2
| CAS No. | 478065-46-2 |
| Molecular Formula | C20H16Cl3N3O5S2 |
| Molecular Weight | 548.85 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 Ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate.
Ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate (CAS 478065-46-2) is a high-purity analytical reference standard with the molecular formula C20H16Cl3N3O5S2 and a molecular weight of 548.85 g/mol.
Structurally, Ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate (C20H16Cl3N3O5S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 548.85 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), Ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]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.
Physical & Chemical Properties
| Molecular Formula | C20H16Cl3N3O5S2 |
| Molecular Weight | 548.85 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) | 13.0 |
| 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
- 3-(Methylsulfanyl)-4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole (CAS 478048-42-9)
- 2-(Methylsulfanyl)-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine (CAS 339017-95-7)
- 6-(Methylsulfanyl)-1-phenyl-4-(2,4,5-trichlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine (CAS 341968-32-9)
- 446286-06-2 2-(Methylsulfanyl)-4-(tributylstannyl)-1,3-thiazole DTXSID00676709 (CAS 446286-06-2)
- 4-(Methylsulfanyl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid (CAS 1008673-55-9)
- Ethyl 2-(methylsulfanyl)-4-[3-(thiophene-2-amido)phenoxy]pyrimidine-5-carboxylate (CAS 439111-28-1)
- 4-[2-(Methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CAS 339017-91-3)
- Methyl 2-{[6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}benzoate (CAS 478247-59-5)
Recommended Standards
- Cyclopentyl 4-(thiomorpholinomethyl)phenyl ketone (CAS 898783-32-9)
- 2-(Dicyclohexylphosphine)3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl (CAS 1070663-78-3)
- Probucol Impurity 4 (CAS CATO-C4X-29204)
- 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 321522-00-3)
- cis-Benzyl 3-hydroxycyclobutylcarbamate (CAS 1403766-86-8)
- tert-Butyl 2-(2-methyl-6-morpholinopyridin-3-yl)piperidine-1-carboxylate (CAS 1352507-64-2)
- 2-(3-Bromophenyl)-1H-imidazo[4,5-c]pyridine (CAS 850348-92-4)
- 4-Ethoxy-1H-pyrrolo[2,3-b]pyridine (CAS 1011711-57-1)
- Ethyl 2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylate (CAS 955975-47-0)
- Dimethyl({2-[2-(piperazin-1-yl)phenoxy]ethyl})amine (CAS 444606-74-0)
- 4-Benzyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide (CAS 179485-19-9)
- Nifekalant (CAS 130636-43-0)
- 2-(2-Fluorophenoxy)-N-(3-(4-phenylpiperazin-1-yl)propyl)acetamide (CAS 1049375-41-8)
- Semaglutide impurity 255 (CAS CATO-C4X-2226255)
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