≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
| ALogP | 6.5 |
|---|
| Pubchem Sid | 528767141 |
|---|---|
| Kanonisches Lächeln | COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3 |
| IUPAC Name | phenyl 6-[[3-methoxy-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChIKey | AZUIUVJESCFSLJ-UHFFFAOYSA-N |
| INCHI | 1S/C31H25F3N2O4/c1-39-27-9-5-8-26(28(27)20-10-13-23(14-11-20)31(32,33)34)29(37)35-24-15-12-22-19-36(17-16-21(22)18-24)30(38)40-25-6-3-2-4-7-25/h2-15,18H,16-17,19H2,1H3,(H,35,37) |
| Isomere SMILES | COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3 |
| PubChem CID | 53497429 |
| Molekulargewicht | 546.54 |
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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Trifluoromethylbenzenes Tetrahydroisoquinolines Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Biphenyl - Tetrahydroisoquinoline - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
 F2506738 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506739 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506740 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506741 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506742 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506743 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506744 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506745 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506746 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506747 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506748 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| F2506749 | Certificate of Analysis | Nov 26, 2024 | S178168 |
| Empfindlichkeit | Light sensitive |
|---|---|
| Molekulargewicht | 546.500 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 546.177 Da |
| Monoisotopic Mass | 546.177 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 856.000 |
| 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 |
