(E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-yl}ethylidene)(propan-2-yloxy)amine CAS 478076-89-0
| CAS No. | 478076-89-0 |
| Molecular Formula | C15H17N3OS |
| Molecular Weight | 287.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-yl}ethylidene)(propan-2-yloxy)amine (CAS 478076-89-0) is a high-purity analytical reference standard with the molecular formula C15H17N3OS and a molecular weight of 287.38 g/mol.
Structurally, (E)-(1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-yl}ethylidene)(propan-2-yloxy)amine (C15H17N3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 287.38 g/mol, it falls into the medium-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.
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 | C15H17N3OS |
| Molecular Weight | 287.38 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
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