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Br-PEG3-C2-Boc

CAT: 0013-GTR19215908-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215908-02Size:500 mg
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Description
Br-PEG3-C2-Boc is a heterobifunctional PROTAC linker used to conjugate a target-binding ligand to an E3 ligase recruiter. Its polyethylene glycol spacer enhances solubility and pharmacokinetics, facilitating the development of degraders for in vitro and in vivo target validation studies.
CAS Number
782475-37-0
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
C (CCOCCOCCOCCBr) (OC (C) (C) C) =O
Molecular Formula
C13H25BrO5
Molecular Weight
341.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 3-{2-[2-(2-bromoethoxy)ethoxy]ethoxy}propanoate
CAS Number782475-37-0
PubChem CID59615995
IUPAC Nametert-butyl 3-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC13H25BrO5
Molecular Weight341.24
XLogP1.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity228
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCBr
InChI
InChI=1S/C13H25BrO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11H2,1-3H3
InChIKey
ISAHSVMMFPHXFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-{2-[2-(2-bromoethoxy)ethoxy]ethoxy}propanoate
CAS: 782475-37-0
CID: 59615995
Formula: C13H25BrO5
MW: 341.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.24
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass340.08854
Monoisotopic Mass340.08854
Topological Polar Surface Area54 Ų
Heavy Atom Count19
Formal Charge0
Complexity228
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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