2-{[3-({3-[(3-{bis[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino}propyl)(methyl)amino]propyl}[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino)propanoyl]oxy}ethyl 2-methyl-3-(octylsulfanyl)propanoate CAS 1857340-78-3
| CAS No. | 1857340-78-3 |
| Molecular Formula | C75H139N3O16S4 |
| Molecular Weight | 1467.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[3-({3-[(3-{bis[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino}propyl)(methyl)amino]propyl}[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino)propanoyl]oxy}ethyl 2-methyl-3-(octylsulfanyl)propanoate is closely related to a nitrogen-containing heterocyclic scaffold, 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.
2-{[3-({3-[(3-{bis[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino}propyl)(methyl)amino]propyl}[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino)propanoyl]oxy}ethyl 2-methyl-3-(octylsulfanyl)propanoate (CAS 1857340-78-3) is a high-purity analytical reference standard with the molecular formula C75H139N3O16S4 and a molecular weight of 1467.18 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 2-{[3-({3-[(3-{bis[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino}propyl)(methyl)amino]propyl}[3-(2-{[2-methyl-3-(octylsulfanyl)propanoyl]oxy}ethoxy)-3-oxopropyl]amino)propanoyl]oxy}ethyl 2-methyl-3-(octylsulfanyl)propanoate is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 1467.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C75H139N3O16S4 |
| Molecular Weight | 1467.18 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 4 |
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