Moligand™, ≥99% Moligand™ 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.
| Pubchem Sid | 528763135 |
|---|---|
| Canonical Smiles | C1CC2=C(C=CC(=C2)O)C(C1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)C9CCC(=O)NC9=O |
| IUPAC Name | (3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione |
| InChIKey | TZZDVPMABRWKIZ-XMOGEVODSA-N |
| INCHI | 1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41+,43+/m1/s1 |
| Isomeric SMILES | C1CC2=C(C=CC(=C2)O)[C@H]([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CC5)CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O |
| Alternate CAS | 2229711-68-4 |
| PubChem CID | 134562533 |
| Molecular Weight | 723.90 |
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 | Benzenoids |
| Class | Naphthalenes |
| Subclass | Phenylnaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylnaphthalenes |
| Alternative Parents | Stilbenes Phenylpiperidines N-arylpiperazines Tetralins Isoindolones Alpha amino acids and derivatives Piperidinediones Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Delta lactams 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Tertiary carboxylic acid amides Pyrrolines N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Enamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylnaphthalene - Stilbene - N-arylpiperazine - Phenylpiperidine - Tetralin - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Isoindoline - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperidinedione - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - Piperidinone - Delta-lactam - Piperidine - Piperazine - N-acyl-amine - 1,4-diazinane - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrroline - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2426486 | Certificate of Analysis | Jan 17, 2024 | A607748 |
| B2426491 | Certificate of Analysis | Jan 17, 2024 | A607748 |
| B2426492 | Certificate of Analysis | Jan 17, 2024 | A607748 |
| B2426495 | Certificate of Analysis | Jan 17, 2024 | A607748 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 723.900 g/mol |
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 723.378 Da |
| Monoisotopic Mass | 723.378 Da |
| Topological Polar Surface Area | 96.400 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
