AB52268
1029044-16-3 | Pexidartinib
Manufacturer: A2B Chem
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CatalogNumber
AB52268
ChemicalName
Pexidartinib
CasNumber
1029044-16-3
MolecularFormula
C20H15ClF3N5
MolecularWeight
417.8148
MdlNumber
MFCD28900745
Smiles
Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
Complexity
537
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.5
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CatalogNumber: AB52268
ChemicalName: Pexidartinib
CasNumber: 1029044-16-3
MolecularFormula: C20H15ClF3N5
MolecularWeight: 417.8148
MdlNumber: MFCD28900745
Smiles: Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
Complexity: 537
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.5
CatalogNumber:
AB52268
ChemicalName:
Pexidartinib
CasNumber:
1029044-16-3
MolecularFormula:
C20H15ClF3N5
MolecularWeight:
417.8148
MdlNumber:
MFCD28900745
Smiles:
Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
Complexity:
537
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(cnc1N1CCNCC1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(cnc1N1CCNCC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52271
ChemicalName: 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CasNumber: 858671-91-7
MolecularFormula: C11H20N2O2
MolecularWeight: 212.2887
MdlNumber: MFCD18249863
Smiles: O=C(N1CC2CCC1CN2)OC(C)(C)C
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB52271
ChemicalName:
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CasNumber:
858671-91-7
MolecularFormula:
C11H20N2O2
MolecularWeight:
212.2887
MdlNumber:
MFCD18249863
Smiles:
O=C(N1CC2CCC1CN2)OC(C)(C)C
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1