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Acalisib

CAS No.:
870281-34-8
Catalog Number:
AG00GUAL
Molecular Formula:
C21H16FN7O
Molecular Weight:
401.3964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$96
- +
5mg
≥98%
1 week
United States
$193
- +
10mg
99%
1 week
United States
$307
- +
25mg
≥98%
1 week
United States
$591
- +
50mg
99%
1 week
United States
$723
- +
100mg
99%
1 week
United States
$1023
- +
Product Description
Catalog Number:
AG00GUAL
Chemical Name:
Acalisib
CAS Number:
870281-34-8
Molecular Formula:
C21H16FN7O
Molecular Weight:
401.3964
MDL Number:
MFCD28411423
IUPAC Name:
6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
InChI:
InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChI Key:
DOCINCLJNAXZQF-LBPRGKRZSA-N
SMILES:
Fc1ccc2c(c1)c(=O)n(c(n2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1
UNII:
OVW60IDW1D
Properties
Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
401.14g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
401.405g/mol
Monoisotopic Mass:
401.14g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties