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3,4-Dibromo-Mal-PEG4-Boc

CAT: 0931-T14026-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14026-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2030168-38-6
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
3,4-Dibromo-Mal-PEG4-Boc is a polyethylene glycol-based PROTAC linker used for the synthesis of PROTACs[1].
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCN1C(=O)C(Br)=C(Br)C1=O
Molecular Formula
C19H29Br2NO8
Molecular Weight
559.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dibromo-Mal-PEG4-t-butyl ester
CAS Number2030168-38-6
PubChem CID123132050
IUPAC Nametert-butyl 3-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H29Br2NO8
Molecular Weight559.2
XLogP1.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count30
Formal Charge0
Complexity594
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN1C(=O)C(=C(C1=O)Br)Br
InChI
InChI=1S/C19H29Br2NO8/c1-19(2,3)30-14(23)4-6-26-8-10-28-12-13-29-11-9-27-7-5-22-17(24)15(20)16(21)18(22)25/h4-13H2,1-3H3
InChIKey
JOTPXNOGHQCGCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromo-Mal-PEG4-t-butyl ester
CAS: 2030168-38-6
CID: 123132050
Formula: C19H29Br2NO8
MW: 559.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.2
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass559.02394
Monoisotopic Mass557.02599
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity594
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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