sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes 5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde

5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde

CAS No.:
231278-84-5
Catalog Number:
AG002M90
Molecular Formula:
C26H17ClFN3O3
Molecular Weight:
473.8829
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)powder
In Stock USA
United States
$87
- +
100mg
98%(HPLC)powder
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG002M90
Chemical Name:
5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde
CAS Number:
231278-84-5
Molecular Formula:
C26H17ClFN3O3
Molecular Weight:
473.8829
MDL Number:
MFCD10565688
IUPAC Name:
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
InChI Key:
XQPZOUAAXRXPAM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F
Properties
Complexity:
675  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.094g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
473.888g/mol
Monoisotopic Mass:
473.094g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Literature
Title Journal
Human metabolism of lapatinib, a dual kinase inhibitor: implications for hepatotoxicity. Drug metabolism and disposition: the biological fate of chemicals 20120101
Properties