1110813-31-4 | Dacomitinib

Packsize	Purity	Availability	Price	Discounted Price
1mg	95%	in stock	$18.00	$13.00
25mg	95%	in stock	$44.00	$31.00
250mg	95%	in stock	$47.00	$33.00
1g	95%	in stock	$102.00	$71.00

Description

• Catalog Number: AE11185
• Chemical Name: Dacomitinib
• CAS Number: 1110813-31-4
• Molecular Formula: C24H25ClFN5O2
• Molecular Weight: 469.939
• MDL Number: MFCD19443734
• SMILES: COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F

Computed Properties

• Complexity: 665
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 33
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 7
• XLogP3: 4.4

Upstream Synthesis Route

The compound (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide, also known as $name$, is a versatile tool in chemical synthesis. This particular molecule exhibits unique properties that make it highly valuable in organic chemistry processes. In chemical synthesis, $name$ is commonly utilized as a key intermediate in the production of various pharmaceutical compounds. Its structural characteristics, including the presence of both an amine and a butenamide group, allow for selective reactions to take place, enabling the formation of complex molecular structures with precise control over stereochemistry. Furthermore, the quinazoline and piperidine moieties in $name$ offer diverse functional group chemistry, making it a crucial building block for constructing pharmacologically active molecules. Its ability to participate in key bond-forming reactions, such as cross-coupling and reductive amination, provides synthetic chemists with a powerful tool for creating novel compounds with potential therapeutic applications. Overall, the application of (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide in chemical synthesis demonstrates its significance as a strategic component in the development of pharmaceutical agents and other complex organic molecules.

Literature

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