≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Probucol is an anti-hyperlipidemic drug initially developed in the treatment of coronary artery disease by lowering the level of cholesterol in the bloodstream by increasing the rate of LDL catabolism.
| Canonical Smiles | CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C |
|---|---|
| IUPAC Name | 4-[2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-(3-carboxypropanoyloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid |
| InChIKey | GDMOONAMTVOJQU-UHFFFAOYSA-N |
| INCHI | 1S/C39H56O8S2/c1-35(2,3)25-19-23(20-26(36(4,5)6)33(25)46-31(44)17-15-29(40)41)48-39(13,14)49-24-21-27(37(7,8)9)34(28(22-24)38(10,11)12)47-32(45)18-16-30(42)43/h19-22H,15-18H2,1-14H3,(H,40,41)(H,42,43) |
| Isomeric SMILES | CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C |
| PubChem CID | 9961854 |
| Molecular Weight | 716.99 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Phenol esters Phenylpropanes Thiophenol ethers Phenoxy compounds Fatty acid esters Dithioketals Alkylarylthioethers Carboxylic acid esters Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Phenol ester - Phenylpropane - Phenoxy compound - Aryl thioether - Thiophenol ether - Dithioketal - Fatty acid ester - Alkylarylthioether - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Thioacetal - Carboxylic acid ester - Thioether - Carboxylic acid - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2431458 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431468 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431469 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431470 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431471 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431472 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431473 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431474 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431475 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431476 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431477 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| G2431478 | Certificate of Analysis | Apr 22, 2024 | P343020 |
| Solubility | DMSO: 2.5 mg/mL (3.49 mM), sonification is recommended. |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 717.000 g/mol |
| XLogP3 | 10.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 18 |
| Exact Mass | 716.342 Da |
| Monoisotopic Mass | 716.342 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
