≥95% 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 | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)C3=CC=CC=C3C(=O)O |
|---|---|
| IUPAC Name | 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]ethylcarbamoyl]benzoic acid |
| InChIKey | IAYRABGXHCLELQ-UHFFFAOYSA-N |
| INCHI | 1S/C28H29ClN2O8/c1-4-39-28(36)24-21(15-38-14-13-30-25(32)17-9-5-6-10-18(17)26(33)34)31-16(2)22(27(35)37-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,31H,4,13-15H2,1-3H3,(H,30,32)(H,33,34) |
| Isomeric SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)C3=CC=CC=C3C(=O)O |
| PubChem CID | 9937612 |
| Molecular Weight | 556.99 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoic acids Benzoyl derivatives Dihydropyridines Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Secondary carboxylic acid amides Azacyclic compounds Enamines Dialkylamines Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid - Benzamide - Benzoyl - Halobenzene - Dihydropyridine - Chlorobenzene - Hydropyridine - Dicarboxylic acid or derivatives - Aryl chloride - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Amine - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 557.000 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 556.161 Da |
| Monoisotopic Mass | 556.161 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 994.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-Ethyl 5-methyl 2-[[2-[(2-carboxybenzoyl)amino]ethoxy]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate - ≥95% , CAS No.318465-73-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)