AX33698
1310726-60-3 | Upadacitinib
Manufacturer: A2B Chem
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CatalogNumber
AX33698
ChemicalName
Upadacitinib
CasNumber
1310726-60-3
MolecularFormula
C17H19F3N6O
MolecularWeight
380.3676
MdlNumber
MFCD30502663
Smiles
CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F
Complexity
561
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AX33698
ChemicalName: Upadacitinib
CasNumber: 1310726-60-3
MolecularFormula: C17H19F3N6O
MolecularWeight: 380.3676
MdlNumber: MFCD30502663
Smiles: CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F
Complexity: 561
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AX33698
ChemicalName:
Upadacitinib
CasNumber:
1310726-60-3
MolecularFormula:
C17H19F3N6O
MolecularWeight:
380.3676
MdlNumber:
MFCD30502663
Smiles:
CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F
Complexity:
561
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: Cc1cc(C)nc(n1)OC(=C(c1ccccc1)c1ccccc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cc(C)nc(n1)OC(=C(c1ccccc1)c1ccccc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(CCn1cnc2c1cnc(n2)N)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(CCn1cnc2c1cnc(n2)N)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(N)nc2c1ncn2CCC(COC(=O)C)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(N)nc2c1ncn2CCC(COC(=O)C)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__