AB50559
106685-40-9 | Adapalene
Manufacturer: A2B Chem
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CatalogNumber
AB50559
ChemicalName
Adapalene
CasNumber
106685-40-9
MolecularFormula
C28H28O3
MolecularWeight
412.5201
MdlNumber
MFCD03106112
Smiles
COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
Complexity
645
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
7.7
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CatalogNumber: AB50559
ChemicalName: Adapalene
CasNumber: 106685-40-9
MolecularFormula: C28H28O3
MolecularWeight: 412.5201
MdlNumber: MFCD03106112
Smiles: COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
Complexity: 645
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 7.7
CatalogNumber:
AB50559
ChemicalName:
Adapalene
CasNumber:
106685-40-9
MolecularFormula:
C28H28O3
MolecularWeight:
412.5201
MdlNumber:
MFCD03106112
Smiles:
COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
Complexity:
645
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
7.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC#CCO[Si](C(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
BrCC#CCO[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCC(OC(=O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCC(OC(=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__