Methyl 3-(2-((2-(2-(2-chloro-4-fluorophenoxy)acetamido)phenyl)thio)acetamido)thiophene-2-carboxylate CAS 866038-88-2
| CAS No. | 866038-88-2 |
| Molecular Formula | C22H18ClFN2O5S2 |
| Molecular Weight | 508.97 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 Methyl 3-(2-((2-(2-(2-chloro-4-fluorophenoxy)acetamido)phenyl)thio)acetamido)thiophene-2-carboxylate.
CATO supplies Methyl 3-(2-((2-(2-(2-chloro-4-fluorophenoxy)acetamido)phenyl)thio)acetamido)thiophene-2-carboxylate (CAS 866038-88-2), a certified reference material (molecular formula C22H18ClFN2O5S2, MW 508.97 g/mol) for analytical method development and quality control.
Structurally, Methyl 3-(2-((2-(2-(2-chloro-4-fluorophenoxy)acetamido)phenyl)thio)acetamido)thiophene-2-carboxylate (C22H18ClFN2O5S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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 508.97 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C22H18ClFN2O5S2 |
| Molecular Weight | 508.97 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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