AA82297
160096-59-3 | Dimethoxycurcumin
Manufacturer: A2B Chem
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CatalogNumber
AA82297
ChemicalName
Dimethoxycurcumin
CasNumber
160096-59-3
MolecularFormula
C23H24O6
MolecularWeight
396.4331
MdlNumber
MFCD22123809
Smiles
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Complexity
534
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
RotatableBondCount
10
Xlogp3
3.9
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CatalogNumber: AA82297
ChemicalName: Dimethoxycurcumin
CasNumber: 160096-59-3
MolecularFormula: C23H24O6
MolecularWeight: 396.4331
MdlNumber: MFCD22123809
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Complexity: 534
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
RotatableBondCount: 10
Xlogp3: 3.9
CatalogNumber:
AA82297
ChemicalName:
Dimethoxycurcumin
CasNumber:
160096-59-3
MolecularFormula:
C23H24O6
MolecularWeight:
396.4331
MdlNumber:
MFCD22123809
Smiles:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Complexity:
534
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
RotatableBondCount:
10
Xlogp3:
3.9
CatalogNumber: AA82299
ChemicalName: 4-(Piperidinocarbonyl)benzonitrile
CasNumber: 160094-26-8
MolecularFormula: C13H14N2O
MolecularWeight: 214.2631
MdlNumber: MFCD06867205
Smiles: N#Cc1ccc(cc1)C(=O)N1CCCCC1
Complexity: 290
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA82299
ChemicalName:
4-(Piperidinocarbonyl)benzonitrile
CasNumber:
160094-26-8
MolecularFormula:
C13H14N2O
MolecularWeight:
214.2631
MdlNumber:
MFCD06867205
Smiles:
N#Cc1ccc(cc1)C(=O)N1CCCCC1
Complexity:
290
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(N(=O)=O)c(cc1Cl)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(N(=O)=O)c(cc1Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA82303
ChemicalName: N-(5-Chloro-4-methoxy-2-nitrophenyl)acetamide
CasNumber: 160088-53-9
MolecularFormula: C9H9ClN2O4
MolecularWeight: 244.6318
MdlNumber: MFCD00126497
Smiles: COc1cc([N+](=O)[O-])c(cc1Cl)NC(=O)C
Complexity: 281
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA82303
ChemicalName:
N-(5-Chloro-4-methoxy-2-nitrophenyl)acetamide
CasNumber:
160088-53-9
MolecularFormula:
C9H9ClN2O4
MolecularWeight:
244.6318
MdlNumber:
MFCD00126497
Smiles:
COc1cc([N+](=O)[O-])c(cc1Cl)NC(=O)C
Complexity:
281
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.7