Methyl 3α-((benzo[d]thiazol-2-ylthio) methyl)-3β,12α-dihydroxy-5β-cholan-24-oate CAS 3074962-67-4
| CAS No. | 3074962-67-4 |
| Molecular Formula | C33H47NO4S2 |
| Molecular Weight | 585.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 585.86 g/mol gives Methyl 3α-((benzo[d]thiazol-2-ylthio) methyl)-3β,12α-dihydroxy-5β-cholan-24-oate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 3α-((benzo[d]thiazol-2-ylthio) methyl)-3β,12α-dihydroxy-5β-cholan-24-oate (CAS 3074962-67-4) is a high-purity analytical reference standard with the molecular formula C33H47NO4S2 and a molecular weight of 585.86 g/mol.
Structurally, Methyl 3α-((benzo[d]thiazol-2-ylthio) methyl)-3β,12α-dihydroxy-5β-cholan-24-oate (C33H47NO4S2) contains a nitrogen-containing heterocyclic scaffold, 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 585.86 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C33H47NO4S2 |
| Molecular Weight | 585.86 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2005 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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