AI48595
35013-72-0 | Biotin-NHS
Manufacturer: A2B Chem
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CatalogNumber
AI48595
ChemicalName
Biotin-NHS
CasNumber
35013-72-0
MolecularFormula
C14H19N3O5S
MolecularWeight
341.3828
MdlNumber
MFCD00078531
Smiles
O=C(ON1C(=O)CCC1=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity
525
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
-0.2
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CatalogNumber: AI48595
ChemicalName: Biotin-NHS
CasNumber: 35013-72-0
MolecularFormula: C14H19N3O5S
MolecularWeight: 341.3828
MdlNumber: MFCD00078531
Smiles: O=C(ON1C(=O)CCC1=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: 525
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: -0.2
CatalogNumber:
AI48595
ChemicalName:
Biotin-NHS
CasNumber:
35013-72-0
MolecularFormula:
C14H19N3O5S
MolecularWeight:
341.3828
MdlNumber:
MFCD00078531
Smiles:
O=C(ON1C(=O)CCC1=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
525
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Br[C@H](C(=O)O)Cc1ccccc1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Br[C@H](C(=O)O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N[C@H](C(=O)O)Cc1ncn(c1)C(=O)OCc1ccccc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N[C@H](C(=O)O)Cc1ncn(c1)C(=O)OCc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1cccnc1)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1cccnc1)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__