Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged,Desiccated 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.
product description:
leukotriene D4 and E4 receptor antagonist
| Canonical Smiles | C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O.Cl |
|---|---|
| IUPAC Name | 2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid;hydrochloride |
| InChIKey | KDSYWFCTUKABKE-UHFFFAOYSA-N |
| INCHI | 1S/C23H18N2O3.ClH/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18;/h1-14,24H,15H2,(H,26,27);1H |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O.Cl |
| Alternate CAS | 105350-26-3 |
| Molecular Weight | 406.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Aminobenzoic acids Aminophenyl ethers Benzoic acids Aniline and substituted anilines Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Primary aromatic amines Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Azacyclic compounds Secondary amines Hydrochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminobenzoic acid - Aminobenzoic acid or derivatives - Quinoline - Aminophenyl ether - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrochloride - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jun 09, 2025 | S286801 | |
| Certificate of Analysis | Jun 09, 2025 | S286801 | |
| Certificate of Analysis | Jun 09, 2025 | S286801 | |
| Certificate of Analysis | Jun 09, 2025 | S286801 | |
| Certificate of Analysis | Jun 09, 2025 | S286801 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 20.34, Max Conc. mM: 50 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 406.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.108 Da |
| Monoisotopic Mass | 406.108 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| 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 | 2 |