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Mal-amido-PEG7-acid

CAT: 1410-M26749-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mal-amido-PEG7-acid is a PEG-based PROTAC linker that can be used to synthesize PROTACs.
CAS Number
2112731-42-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
548.586
Molecular Formula
C24H40N2O12
Notes
Research use only, not for human use.
Receptor
HtrA2

Chemical Information

Mal-amido-PEG7-acid
CAS Number2112731-42-5
PubChem CID126480443
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC24H40N2O12
Molecular Weight548.6
XLogP-1.7
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Heavy Atom Count38
Formal Charge0
Complexity686
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C24H40N2O12/c27-21(3-6-26-22(28)1-2-23(26)29)25-5-8-33-10-12-35-14-16-37-18-20-38-19-17-36-15-13-34-11-9-32-7-4-24(30)31/h1-2H,3-20H2,(H,25,27)(H,30,31)
InChIKey
LHEVLPWUXYBIOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG7-acid
CAS: 2112731-42-5
CID: 126480443
Formula: C24H40N2O12
MW: 548.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.6
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Exact Mass548.25812472
Monoisotopic Mass548.25812472
Topological Polar Surface Area168 Ų
Heavy Atom Count38
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3615364-01Mal-amido-PEG7-acid
T208111-01Mal-amido-PEG7-NHS ester
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T208198-01Mal-amido-PEG15-acid
T208110-01Mal-amido-PEG5-acid
HY-138727-01Mal-amido-PEG3-acid
T18236-01Mal-amido-PEG12-acid
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MBS5769439Mal-amido-PEG9-acid
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