2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS 625377-40-4
| CAS No. | 625377-40-4 |
| Molecular Formula | C20H17F3N2O3S |
| Molecular Weight | 422.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 422.42 g/mol gives 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625377-40-4) is a high-purity analytical reference standard with the molecular formula C20H17F3N2O3S and a molecular weight of 422.42 g/mol.
Based on its molecular formula C20H17F3N2O3S, 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 422.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
CATO manufactures 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H17F3N2O3S |
| Molecular Weight | 422.42 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related H Standards
- 1775455-89-4 1-(1,3-Benzodioxol-5-ylcarbonyl)-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine MFCD28506549 (CAS 1775455-89-4)
- 5-[3-(2H-1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CAS 1775535-60-8)
- 2-(2H-1,3-Benzodioxol-5-yl)-3-bromo-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CAS 866145-82-6)
- 2-(2H-1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (CAS 1023480-30-9)
- 2-[2-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6-chloro-1H-1,3-benzodiazol-1-yl]ethan-1-ol (CAS 791105-69-6)
- 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl]ethoxy}-3-chloro-5-(trifluoromethyl)pyridine (CAS 955961-70-3)
- 4-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide (CAS 866137-33-9)
- 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one (CAS 477888-17-8)
Recommended Standards
- 2-(3,4-Dimethoxyphenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CAS 400080-52-6)
- 4-(2,6-Difluorobenzoyl)-1-(3-methoxybenzyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 317833-52-6)
- 2-((5-(2-Methoxyphenyl)-4-methyl-4h-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 333312-63-3)
- 4-(2,6-Difluorobenzoyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 317833-54-8)
- Ethyl 2-(3-nitrophenoxy)acetate (CAS 5544-77-4)
- methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate (CAS 84677-05-4)
- 7-(4-methyl-1H-imidazol-1-yl)benzo[d][1,3]dioxole-4-carbaldehyde (CAS 1139819-89-8)
- 4-hydrazinylpyridine-2-carboxylic acid (CAS 1023817-20-0)
- N-Nitroso-N-Ethylaniline (CAS 612-64-6)
- Tirofiban (CAS 144494-65-5)
- 3-(4-Methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole (CAS 1445792-48-2)
- H-Val-Pro-OH · HCl (CAS 105931-64-4)
- 2-(oxetan-2-yl)acetic acid (CAS 1416271-20-9)
- D-[Phe6]-Semaglutide (CAS CATO-C4X-2226213)
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