≥95%,≥99%(ee) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)C1COC(=N1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=NC(CO4)C(C)C |
|---|---|
| IUPAC Name | (4S)-2-[1,3-diphenyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole |
| InChIKey | QGUCYRUCOLTXBV-DNQXCXABSA-N |
| INCHI | 1S/C27H34N2O2/c1-19(2)23-17-30-25(28-23)27(15-21-11-7-5-8-12-21,16-22-13-9-6-10-14-22)26-29-24(18-31-26)20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3/t23-,24-/m1/s1 |
| Isomeric SMILES | CC(C)[C@H]1COC(=N1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)C4=N[C@H](CO4)C(C)C |
| PubChem CID | 11258629 |
| Molecular Weight | 418.6 |
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 |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Benzene and substituted derivatives Oxazolines Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Monocyclic benzene moiety - Benzenoid - Oxazoline - Imido ester - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 418.600 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 418.262 Da |
| Monoisotopic Mass | 418.262 Da |
| Topological Polar Surface Area | 43.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 586.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![(4S,4''S)-2,2''-[2-Phenyl-1-(phenylmethyl)ethylidene]bis[4-(1-methylethyl)-4,5-dihydrooxazole] - ≥95%,≥99%(ee) CAS No(444575-98-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/2/S281693.png)