Methyl 3-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamido)-4-(trifluoromethyl)phenoxy)thiophene-2-carboxylate CAS 648860-01-9
| CAS No. | 648860-01-9 |
| Molecular Formula | C19H10ClF6N3O4S |
| Molecular Weight | 525.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamido)-4-(trifluoromethyl)phenoxy)thiophene-2-carboxylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamido)-4-(trifluoromethyl)phenoxy)thiophene-2-carboxylate (CAS 648860-01-9), molecular formula C19H10ClF6N3O4S and molecular weight 525.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 3-(2-(2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamido)-4-(trifluoromethyl)phenoxy)thiophene-2-carboxylate (C19H10ClF6N3O4S) 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 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 525.81 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 | C19H10ClF6N3O4S |
| Molecular Weight | 525.81 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- (E)-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-5-(3-(dimethylamino)acryloyl)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione (CAS 338399-45-4)
- 6-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3-(pyrrolidine-1-carbonyl)-3a,4,4a,7a,8,8a-hexahydro-5H-4,8-methanoisoxazolo[4,5-f]isoindole-5,7(6H)-dione (CAS 321998-79-2)
- 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(3,4-dichlorophenyl)carbamoyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338399-33-0)
- 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-N-(5-iodopyridin-2-yl)acetamide (CAS 339018-01-8)
- 1-(2-(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-4-(4-hydroxy-3-methoxybenzylidene)-3-methyl-1H-pyrazol-5(4H)-one (CAS 119457-16-8)
- Methyl-2(3-(3-(2-(7-Chloro-2 quinolinyl)Ethenyl)Phenyl)-3-oxopropyl)benzoate (CAS 133791-17-0)
- N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[(triphenylmethyl)amino]-5-thiazolecarboxamide (CAS 910297-68-6)
- 6-Chloro-4-(1-chloro-2-methylpropan-2-yl)pyridazin-3(2H)-one (CAS 117144-78-2)
Recommended Standards
- (E)-N'-(2-(4-chlorophenoxy)benzylidene)-4-((3,4-dichlorobenzyl)oxy)benzohydrazide (CAS 320423-49-2)
- Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[[2-[4,5-dihydro-2-(8-heptadecen-1-yl)-1H-imidazol-1-yl]ethyl]imino]di-2,1-ethanediyl]bis[.omega.-hydroxy- (CAS 68442-00-2)
- Ilmofosine (CAS 83519-04-4)
- Vaborbactam Impurity 9 (CAS CATO-C4X-34779)
- 2-Amino-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrochloride (CAS 2126178-31-0)
- 2-(((4-Bromophenyl)amino)methyl)-6-ethoxyphenol (CAS 1019545-61-9)
- N-(4-(4-oxopiperidin-1-yl)phenyl)acetamide (CAS 142752-14-5)
- 2-((4-Fluorobenzyl)thio)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-66-5)
- (2-Methoxyethyl)(methyl)[(oxiran-2-yl)methyl]amine (CAS 1251385-30-4)
- (5-Methoxy-2-(trifluoromethyl)phenyl)methanol (CAS 1261682-03-4)
- (2-((Trimethylsilyl)ethynyl)pyridin-4-yl)methanol (CAS 2380302-07-6)
- (1R)-7-(propan-2-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride (CAS 1423040-88-3)
- 3-(2-Chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpyrrolidine (CAS 343374-80-1)
- D-[Ser]8-Semaglutide (CAS CATO-C4X-2226207)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com