AA69292
1420477-60-6 | Acalabrutinib
Manufacturer: A2B Chem
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CatalogNumber
AA69292
ChemicalName
Acalabrutinib
CasNumber
1420477-60-6
MolecularFormula
C26H23N7O2
MolecularWeight
465.5065
MdlNumber
MFCD29472294
Smiles
CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1
Complexity
845
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AA69292
ChemicalName: Acalabrutinib
CasNumber: 1420477-60-6
MolecularFormula: C26H23N7O2
MolecularWeight: 465.5065
MdlNumber: MFCD29472294
Smiles: CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1
Complexity: 845
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AA69292
ChemicalName:
Acalabrutinib
CasNumber:
1420477-60-6
MolecularFormula:
C26H23N7O2
MolecularWeight:
465.5065
MdlNumber:
MFCD29472294
Smiles:
CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1
Complexity:
845
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COC(=O)CCn1c(CO)cc2c1cccc2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COC(=O)CCn1c(CO)cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccc(n[nH]1)c1ccc(c(c1)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccc(n[nH]1)c1ccc(c(c1)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(=O)c1ccc(c(c1)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(=O)c1ccc(c(c1)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__