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Btk inhibitor 1

CAS No.:
1412418-47-3
Catalog Number:
AG009C9Y
Molecular Formula:
C22H22N6O
Molecular Weight:
386.4497
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$640
- +
10mg
97%
1 week
United States
$890
- +
50mg
97%
1 week
United States
$2557
- +
100mg
97%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009C9Y
Chemical Name:
Btk inhibitor 1
CAS Number:
1412418-47-3
Molecular Formula:
C22H22N6O
Molecular Weight:
386.4497
MDL Number:
MFCD19443124
IUPAC Name:
3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C22H22N6O/c23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16/h1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26)
InChI Key:
GPSQYTDPBDNDGI-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(nn2C1CCCNC1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.186g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
386.459g/mol
Monoisotopic Mass:
386.186g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties