Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772216 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772216 |
| Sonrisas canónicas | CC(C)(C)C1=CC(=CC(=C1)CC(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)(C3=NC4C(O3)CC5=CC=CC=C45)C6=NC7C(O6)CC8=CC=CC=C78)C(C)(C)C |
| IUPAC Name | (3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(3,5-ditert-butylphenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole |
| InChIKey | WVVLVBHMBBXGQX-QHQGJXSCSA-N |
| INCHI | 1S/C51H62N2O2/c1-47(2,3)35-21-31(22-36(27-35)48(4,5)6)29-51(45-52-43-39-19-15-13-17-33(39)25-41(43)54-45,46-53-44-40-20-16-14-18-34(40)26-42(44)55-46)30-32-23-37(49(7,8)9)28-38(24-32)50(10,11)12/h13-24,27-28,41-44H,25-26,29-30H2,1-12H3/t41-,42-,43+,44+/m1/s1 |
| Isómeros SMILES | CC(C)(C)C1=CC(=CC(=C1)CC(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)(C3=N[C@@H]4[C@H](O3)CC5=CC=CC=C45)C6=N[C@@H]7[C@H](O6)CC8=CC=CC=C78)C(C)(C)C |
| PubChem CID | 71739082 |
| Peso molecular | 735.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Phenylpropanes Indanes Oxazolines Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Indane - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Oxazoline - Imido ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Nov 10, 2025 | B281541 | |
| Certificate of Analysis | Nov 10, 2025 | B281541 | |
| Certificate of Analysis | Nov 10, 2025 | B281541 | |
| Certificate of Analysis | Nov 10, 2025 | B281541 | |
| Certificate of Analysis | Nov 29, 2022 | B281541 | |
| Certificate of Analysis | Nov 29, 2022 | B281541 |
| Peso molecular | 735.000 g/mol |
|---|---|
| XLogP3 | 13.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 734.481 Da |
| Monoisotopic Mass | 734.481 Da |
| Topological Polar Surface Area | 43.200 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |