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ML224

CAS No.:
1338824-21-7
Catalog Number:
AG009CJ6
Molecular Formula:
C31H31N3O5
Molecular Weight:
525.5949
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$265
- +
10mg
98%
1 week
United States
$390
- +
50mg
98%
1 week
United States
$1098
- +
100mg
98%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG009CJ6
Chemical Name:
ML224
CAS Number:
1338824-21-7
Molecular Formula:
C31H31N3O5
Molecular Weight:
525.5949
MDL Number:
MFCD28385882
IUPAC Name:
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
InChI:
InChI=1S/C31H31N3O5/c1-19-14-24(32-21(3)35)15-20(2)29(19)39-18-23-16-22(11-12-28(23)37-4)30-33-27-10-6-5-9-26(27)31(36)34(30)17-25-8-7-13-38-25/h5-16,30,33H,17-18H2,1-4H3,(H,32,35)
InChI Key:
BFTSWGYWHRJVNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1COc1c(C)cc(cc1C)NC(=O)C)C1Nc2ccccc2C(=O)N1Cc1ccco1
Properties
Complexity:
829  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.226g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
525.605g/mol
Monoisotopic Mass:
525.226g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties