AA44390
128794-94-5 | Mycophenolate mofetil
Manufacturer: A2B Chem
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CatalogNumber
AA44390
ChemicalName
Mycophenolate mofetil
CasNumber
128794-94-5
MolecularFormula
C23H31NO7
MolecularWeight
433.4947
MdlNumber
MFCD00867568
Smiles
COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O
Complexity
646
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
10
Xlogp3
3.2
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CatalogNumber: AA44390
ChemicalName: Mycophenolate mofetil
CasNumber: 128794-94-5
MolecularFormula: C23H31NO7
MolecularWeight: 433.4947
MdlNumber: MFCD00867568
Smiles: COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O
Complexity: 646
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: 3.2
CatalogNumber:
AA44390
ChemicalName:
Mycophenolate mofetil
CasNumber:
128794-94-5
MolecularFormula:
C23H31NO7
MolecularWeight:
433.4947
MdlNumber:
MFCD00867568
Smiles:
COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O
Complexity:
646
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
3.2
CatalogNumber: AA44391
ChemicalName: 2-(Chloromethyl)-5-(trifluoromethyl)pyridine
CasNumber: 128790-14-7
MolecularFormula: C7H5ClF3N
MolecularWeight: 195.56950959999998
MdlNumber: MFCD10697590
Smiles: ClCc1ccc(cn1)C(F)(F)F
Complexity: 148
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA44391
ChemicalName:
2-(Chloromethyl)-5-(trifluoromethyl)pyridine
CasNumber:
128790-14-7
MolecularFormula:
C7H5ClF3N
MolecularWeight:
195.56950959999998
MdlNumber:
MFCD10697590
Smiles:
ClCc1ccc(cn1)C(F)(F)F
Complexity:
148
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(cn1C)C(=O)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(cn1C)C(=O)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(cn1C)C(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(cn1C)C(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__