3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide CAS 420835-61-6
| CAS No. | 420835-61-6 |
| Molecular Formula | C19H18FN3OS |
| Molecular Weight | 355.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 355.43 g/mol gives 3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 420835-61-6), molecular formula C19H18FN3OS and molecular weight 355.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (C19H18FN3OS) contains a steroid core, an amide group, sulfur-containing functionality, 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 355.43 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.
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.
As a certified reference material (CRM), 3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C19H18FN3OS |
| Molecular Weight | 355.43 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 3,4-Dibenzoyl-1-phenylpyrrolidine (CAS 343374-86-7)
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- 3,3'-(Azanediylbis(methylene))dibenzenesulfonamide (CAS 857003-88-4)
- 4-((Benzo[c][1,2,5]thiadiazole-4-sulfonamido)methyl)cyclohexane-1-carboxylic acid (CAS 899721-22-3)
- 4-Ethyl-2-fluorophenol (CAS 326493-66-7)
- N-(2-Ethoxybenzyl)-4-(2-phenoxyethoxy)aniline (CAS 1040691-37-9)
- 2-(methyl(1-methylpiperidin-4-yl)amino)ethan-1-ol (CAS 23008-88-0)
- Tridecane-1,13-diamine (CAS 14465-66-8)
- (S)-Benzyl ((1-(2-amino-3-methylbutanoyl)piperidin-4-yl)methyl)(cyclopropyl)carbamate (CAS 1354016-30-0)
- 5,5A,6,7,8,9,10,11-octahydrocycloocta[b]quinoline-12-carboxylic acid (CAS 669757-85-1)
- 2-(2-((2-Methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)acetic acid (CAS 891450-20-7)
- 2-Methoxy-3-(trifluoromethoxy)benzonitrile (CAS 1261617-80-4)
- N-(4-Fluorophenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine (CAS 827580-68-7)
- Neuropeptide VF (124-131) (human) (CAS 311309-27-0)
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