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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A727883-100mg
|
100mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,950.90
|
|
|
A727883-250mg
|
250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$3,851.90
|
|
| Specifications & Purity | ≥95% |
|---|
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Pyridinecarboxylic acids Methylpyridines Chlorobenzenes Aryl chlorides Methyl esters Heteroaromatic compounds Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
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| IUPAC Name | 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate |
|---|---|
| INCHI | InChI=1S/C20H23ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8H,4,9-11,22H2,1-3H3 |
| InChIKey | APZSGEHAFPIYQZ-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl |
| Isomeric SMILES | CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)OC)C2=CC=CC=C2Cl |
| PubChem CID | 14271877 |
| Molecular Weight | 406.86 |
| Molecular Weight | 406.900 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 406.13 Da |
| Monoisotopic Mass | 406.13 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| 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 |