N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide CAS 626227-36-9
| CAS No. | 626227-36-9 |
| Molecular Formula | C21H19ClF3N3OS |
| Molecular Weight | 453.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C21H19ClF3N3OS, N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 453.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-36-9), a certified reference material (molecular formula C21H19ClF3N3OS, MW 453.91 g/mol) for analytical method development and quality control.
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 N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide 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 | C21H19ClF3N3OS |
| Molecular Weight | 453.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| 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 N Standards
- 5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-31-5)
- 6-((5-((4-Chlorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy)-2-phenylpyridazin-3(2H)-one (CAS 439112-35-3)
- N-(3-chlorobenzyl)-1-(5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl)piperidine-4-carboxamide (CAS 1291855-47-4)
- S-(2-chlorobenzyl) (1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl)carbamothioate (CAS 338783-79-2)
- 2-((4-Chlorobenzyl)thio)pyrimidine-4-carbaldehyde O-(2,6-dichloroisonicotinoyl) oxime (CAS 263755-78-8)
- N-(2-Chlorobenzyl)-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CAS 477234-38-1)
- N-((5-((4-Chlorobenzyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methylaniline (CAS 332872-74-9)
- 2-((4-Chlorobenzyl)sulfonyl)-1,1-bis(4-chlorophenyl)ethanol (CAS 252026-84-9)
Recommended Standards
- N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide (CAS 626228-72-6)
- 3-Amino-N-(2-chlorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 626228-06-6)
- Flumetasone Impurity 14 (CAS 3873-19-6)
- Cloxacillin Impurity 25 (CAS CATO-C4X-159725)
- 109025-99-2 N,N'-1,4-Phenylenebis-glycine Dimethyl Ester p-Phenylenediamine-N,N-diacetic Acid Dimethyl Ester (CAS 109025-99-2)
- 865-52-1 Germanium, tetramethyl- Tetramethylgermanium 4-04-00-04282 (Beilstein Handbook Reference) BRN 3660066 EINECS 212-745-0 TL 81 (CAS 865-52-1)
- Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II) (CAS 14564-35-3)
- 1-(3,4-Dichlorophenyl)butane-1,3-dione (CAS 55748-84-0)
- 2-(2-(Benzyloxy)ethoxy)pyridin-3-amine (CAS 1820665-93-7)
- Fluvoxamine EP Impurity A (CAS 1217216-82-4)
- 5-Bromo-2-(methoxymethoxy)pyridine (CAS 247189-74-8)
- 3-Chlorocyclohexa-3,5-diene-1,2-dione (CAS 56961-34-3)
- 1H-Pyrazolo[4,3-d]pyrimidin-7(7aH)-one (CAS 179042-24-1)
- Semaglutide Impurity 139 (CAS CATO-C4X-2226139)
Why CATO?
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