Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% 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.
| ALogP | 4.3 |
|---|
| Pubchem Sid | 504765022 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765022 |
| Sonrisas canónicas | CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C=CCNC(=O)COC)C |
| IUPAC Name | 2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide |
| InChIKey | LLVZBTWPGQVVLW-SNAWJCMRSA-N |
| INCHI | 1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+ |
| Isómeros SMILES | CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)/C=C/CNC(=O)COC)C |
| Peso molecular | 469.54 |
| Reaxy-Rn | 11828076 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11828076&ln= |
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 | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Diarylethers Styrenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Diaryl ether - Styrene - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Aminopyrimidine - Toluene - Methylpyridine - Pyrimidine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jul 15, 2025 | C125489 | |
| Certificate of Analysis | Jul 15, 2025 | C125489 | |
| Certificate of Analysis | Jul 15, 2025 | C125489 | |
| Certificate of Analysis | Jul 15, 2025 | C125489 | |
| Certificate of Analysis | Jul 15, 2025 | C125489 | |
| Certificate of Analysis | Jul 15, 2025 | C125489 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 46.95, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 46.95, Max Conc. mM: 100 |
|---|---|
| Peso molecular | 469.500 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 469.211 Da |
| Monoisotopic Mass | 469.211 Da |
| Topological Polar Surface Area | 98.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 692.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| 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 →