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3,4-Dibromo-Mal-PEG8-Boc

CAT: 0931-T14027Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14027Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055198-02-0
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
3,4-Dibromo-Mal-PEG8-Boc is a polyethylene glycol (PEG) derived PROTAC linker used in PROTAC synthesis [1].
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O
Molecular Formula
C27H45Br2NO12
Molecular Weight
735.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dibromo-Mal-PEG8-t-butyl ester
CAS Number2055198-02-0
PubChem CID126480500
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC27H45Br2NO12
Molecular Weight735.5
XLogP0.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count42
Formal Charge0
Complexity782
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C(=C(C1=O)Br)Br
InChI
InChI=1S/C27H45Br2NO12/c1-27(2,3)42-22(31)4-6-34-8-10-36-12-14-38-16-18-40-20-21-41-19-17-39-15-13-37-11-9-35-7-5-30-25(32)23(28)24(29)26(30)33/h4-21H2,1-3H3
InChIKey
NRCHSTUDEZBNCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromo-Mal-PEG8-t-butyl ester
CAS: 2055198-02-0
CID: 126480500
Formula: C27H45Br2NO12
MW: 735.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight735.5
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass735.12880
Monoisotopic Mass733.13085
Topological Polar Surface Area138 Ų
Heavy Atom Count42
Formal Charge0
Complexity782
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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HY-141003-013,4-Dibromo-Mal-PEG8-acid
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HY-W591402-013,4-Dibromo-Mal-PEG4-Acid
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