N-(4-Aminobutyl)-N-(2-(phenylthio)ethyl)isoquinoline-5-sulfonamide CAS 651307-39-0
| CAS No. | 651307-39-0 |
| Molecular Formula | C21H25N3O2S2 |
| Molecular Weight | 415.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(4-Aminobutyl)-N-(2-(phenylthio)ethyl)isoquinoline-5-sulfonamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(4-Aminobutyl)-N-(2-(phenylthio)ethyl)isoquinoline-5-sulfonamide (CAS 651307-39-0), molecular formula C21H25N3O2S2 and molecular weight 415.57 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(4-Aminobutyl)-N-(2-(phenylthio)ethyl)isoquinoline-5-sulfonamide (C21H25N3O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 415.57 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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), N-(4-Aminobutyl)-N-(2-(phenylthio)ethyl)isoquinoline-5-sulfonamide 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 | C21H25N3O2S2 |
| Molecular Weight | 415.57 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related N Standards
- N-(4-Aminobutyl)-N-(3-phenylbutyl)isoquinoline-5-sulfonamide (CAS 651307-41-4)
- 6-(5-(4-Aminobutyl)-3-chloro-2-fluorophenyl)-3-phenyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one (CAS 1393887-94-9)
- N-(4-Aminobutyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide (CAS 651307-34-5)
- N-(4-Aminobutyl)-N-(2-(thiophen-2-yl)ethyl)isoquinoline-5-sulfonamide (CAS 651307-36-7)
- N-(4-Aminobutyl)-N-(2-(thiophen-3-yl)ethyl)isoquinoline-5-sulfonamide (CAS 651307-37-8)
- N-(4-Aminobutyl)-N-(2-(phenylsulfonyl)ethyl)isoquinoline-5-sulfonamide (CAS 651307-44-7)
- 1,5-Bis((4-aminobutyl)amino)anthracene-9,10-dione (CAS 123296-26-4)
- N-(4-Aminobutyl)-N-(2-cyclopentylethyl)isoquinoline-5-sulfonamide (CAS 651307-42-5)
Recommended Standards
- N-(3-Aminocyclohexyl)-N-(2-(thiophen-3-yl)ethyl)isoquinoline-5-sulfonamide (CAS 651307-59-4)
- N-Cyclohexyl-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 686771-43-7)
- N-(3-Aminocyclohexyl)-N-(2-(thiophen-2-yl)ethyl)isoquinoline-5-sulfonamide (CAS 651307-58-3)
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