Home Other Building Blocks Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate

Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate

CAS No.:
148901-69-3
Catalog Number:
AG001L9U
Molecular Formula:
C27H26FNO4
Molecular Weight:
447.4980
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
In Stock USA
United States
$82
- +
100mg
In Stock USA
United States
$155
- +
Product Description
Catalog Number:
AG001L9U
Chemical Name:
Ethyl (e)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
CAS Number:
148901-69-3
Molecular Formula:
C27H26FNO4
Molecular Weight:
447.4980
MDL Number:
MFCD11041029
IUPAC Name:
ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-3-oxohept-6-enoate
InChI:
InChI=1S/C27H26FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20,30H,2,7-8,15-16H2,1H3/b14-13+
InChI Key:
DPBQVLWVWXLRGW-BUHFOSPRSA-N
SMILES:
CCOC(=O)CC(=O)CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O
EC Number:
604-664-8
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
447.185g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
447.506g/mol
Monoisotopic Mass:
447.185g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties