3-Amino-N-(4-(trifluoromethoxy)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide CAS 445382-70-7
| CAS No. | 445382-70-7 |
| Molecular Formula | C20H18F3N3O2S |
| Molecular Weight | 421.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-Amino-N-(4-(trifluoromethoxy)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 445382-70-7), molecular formula C20H18F3N3O2S and molecular weight 421.44 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Amino-N-(4-(trifluoromethoxy)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (C20H18F3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 421.44 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H18F3N3O2S |
| Molecular Weight | 421.44 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Amino Standards
- 3-Amino-N-(2-(trifluoromethoxy)phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 489462-22-8)
- 3-Amino-N-(4-methoxybenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 664999-46-6)
- 2-Amino-N6-(dimethylaminomethylidene)-N2-isobutyryl-2’-O-methyladenosine (CAS 869354-83-6)
- 2-Amino-4-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 304867-97-8)
- 3-[2-Amino-3-(2-ethoxycarbonyl-ethoxy)-2-(2-ethoxycarbonyl-ethoxymethyl)-propoxy]-propionic acid ethyl ester (CAS 132491-90-8)
- 2'-Amino-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid (CAS 1832677-46-9)
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- Methyl 3β-Amino-7α,12α-dihydroxy-5β-cholan-24-oate (CAS 135053-62-2)
Recommended Standards
- 3-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5-(methoxycarbonyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid (CAS 2580228-29-9)
- 5-(Benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-38-2)
- 2-Methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyridazin-3-yl)-1,3,4-thiadiazole (CAS 921605-87-0)
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- 2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5-fluoro-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid (CAS 2138004-27-8)
- N-Cyclohexyl-2-[(8-Fluoro-2H-1,2,4-Triazino[5,6-b]Indol-3-ylThio]-N-Methyl-Acetamide (CAS 603947-96-2)
- N-(2,4-dichloro-5-methoxyphenyl)-3-(4-nitrophenoxy)thiophene-2-carboxamide (CAS 339015-25-7)
- 5-Bromoacenaphthenequinone (CAS 26254-35-3)
- Palmitoyl Tetrapeptide-7 (CAS 221227-05-0)
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