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XL228

CAS No.:
898280-07-4
Catalog Number:
AG00GU7G
Molecular Formula:
C22H31N9O
Molecular Weight:
437.5412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$147
- +
10mg
≥98%
1 week
United States
$219
- +
25mg
≥98%
1 week
United States
$422
- +
50mg
≥98%
1 week
United States
$714
- +
100mg
99%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG00GU7G
Chemical Name:
XL228
CAS Number:
898280-07-4
Molecular Formula:
C22H31N9O
Molecular Weight:
437.5412
MDL Number:
MFCD26793867
IUPAC Name:
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
InChI Key:
ALKJNCZNEOTEMP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc(NCc2onc(c2)C(C)C)nc(c1)Nc1n[nH]c(c1)C1CC1
UNII:
33M2XSK003
Properties
Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.265g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
437.552g/mol
Monoisotopic Mass:
437.265g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties