≥99% 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.
Gefitinib impurity 2 is the impurity of Gefitinib. Gefitinib (ZD1839; HY-50895) is a potent, selective and orally active EGFR tyrosine kinase inhibitor with an IC 50 of 33 nM. Gefitinib selectively inhibits EGF-stimulated tumor cell growth (IC 50 of 54 nM) and that blocks EGF-stimulated EGFR autophosphorylation in tumor cells. Gefitinib also induces autophagy. Gefitinib has antitumour activity.
Form:Solid
| Canonical Smiles | COC1=C(C=C(C(=C1)N)C(=O)N)OCCCN2CCOCC2 |
|---|---|
| IUPAC Name | 2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamide |
| InChIKey | HFUBNPPCNQAACT-UHFFFAOYSA-N |
| INCHI | 1S/C15H23N3O4/c1-20-13-10-12(16)11(15(17)19)9-14(13)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8,16H2,1H3,(H2,17,19) |
| Isomeric SMILES | COC1=C(C=C(C(=C1)N)C(=O)N)OCCCN2CCOCC2 |
| PubChem CID | 11638144 |
| Molecular Weight | 309.36 |
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 | Benzamides |
| Direct Parent | Anthranilamides |
| Alternative Parents | 2-aminobenzamides Aminophenyl ethers Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Vinylogous amides Amino acids and derivatives Primary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-aminobenzamide - Aminobenzoic acid or derivatives - Aminobenzamide - Anthranilamide - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Benzoyl - Anisole - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (323.25 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 309.360 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 309.169 Da |
| Monoisotopic Mass | 309.169 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |
