Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate CAS 335409-80-8
| CAS No. | 335409-80-8 |
| Molecular Formula | C21H16ClFN2O4S |
| Molecular Weight | 446.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 446.88 g/mol gives Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate (CAS 335409-80-8) is a high-purity analytical reference standard with the molecular formula C21H16ClFN2O4S and a molecular weight of 446.88 g/mol.
Structurally, Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate (C21H16ClFN2O4S) 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 446.88 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 | C21H16ClFN2O4S |
| Molecular Weight | 446.88 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 | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Methyl 2-(4-chlorobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 335409-23-9)
- 2-Chloro-N-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)benzenesulfonamide (CAS 866018-72-6)
- 5-{5-(benzylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-2-chloropyridine (CAS 680216-97-1)
- 3-(3-Chloro-2-methylphenyl)-N'-(4-methylbenzoyl)-4-oxo-3,4-dihydrophthalazine-1-carbohydrazide (CAS 866039-05-6)
- 2-(2-Chloroethyl)-6-methyl-1H-benzo[d]imidazole hydrochloride (CAS 1609400-17-0)
- (1,2,3,4-tetrahydroquinolin-6-ylsulfanyl)formonitrile (CAS 1428974-63-3)
- 2-Amino-6-(difluoromethyl)-5-fluoropyridine-3-sulfonamide (CAS 1805338-93-5)
- 3,5-Difluoro-DL-phenylalanine (CAS 32133-37-2)
- 3-(3,4-Difluorophenyl)isoxazol-5-amine (CAS 874376-50-8)
- tert-Butyl 3-(4-ethynylpiperidin-1-yl)azetidine-1-carboxylate (CAS 2505498-80-4)
- 1-((2-Fluorobenzyl)amino)-2-methylpropan-2-ol (CAS 1184377-47-6)
- 2-(Methylthio)quinolin-8-amine (CAS 89647-36-9)
- (4-(6-Methoxypyridazin-3-yl)phenyl)methanol (CAS 281232-94-8)
- Atrial Natriuretic Polypeptide (4-28), human (CAS 95896-08-5)
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