AB49783
512-04-9 | Diosgenin
Manufacturer: A2B Chem
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CatalogNumber
AB49783
ChemicalName
Diosgenin
CasNumber
512-04-9
MolecularFormula
C27H42O3
MolecularWeight
414.6206
MdlNumber
MFCD00016887
Smiles
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Complexity
746
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
11
HeavyAtomCount
30
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
5.7
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CatalogNumber: AB49783
ChemicalName: Diosgenin
CasNumber: 512-04-9
MolecularFormula: C27H42O3
MolecularWeight: 414.6206
MdlNumber: MFCD00016887
Smiles: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Complexity: 746
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 11
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 5.7
CatalogNumber:
AB49783
ChemicalName:
Diosgenin
CasNumber:
512-04-9
MolecularFormula:
C27H42O3
MolecularWeight:
414.6206
MdlNumber:
MFCD00016887
Smiles:
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
Complexity:
746
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
5.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AB49785
ChemicalName: 3-Bromo-2,4-dimethylpyridine
CasNumber: 27063-93-0
MolecularFormula: C7H8BrN
MolecularWeight: 186.0491
MdlNumber: MFCD09842453
Smiles: Brc1c(C)ccnc1C
Complexity: 94.9
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
Xlogp3: 2.3
CatalogNumber:
AB49785
ChemicalName:
3-Bromo-2,4-dimethylpyridine
CasNumber:
27063-93-0
MolecularFormula:
C7H8BrN
MolecularWeight:
186.0491
MdlNumber:
MFCD09842453
Smiles:
Brc1c(C)ccnc1C
Complexity:
94.9
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@@H]1CCCC[C@H]1N(C)C)C
Complexity: 116
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@@H]1CCCC[C@H]1N(C)C)C
Complexity:
116
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
1.6