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Propargyl-PEG4-O-C1-Boc

CAT: 0013-GTR19226196-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226196-01Size:2 mg
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Description
Propargyl-PEG4-O-C1-Boc is a heterobifunctional linker used to construct PROTAC molecules for targeted protein degradation. Its PEG spacer enhances solubility and pharmacokinetics, facilitating both in vitro cellular studies and in vivo proof-of-concept research in oncology and other therapeutic areas.
CAS Number
2098489-63-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) COCCOCCOCCOCCOCC#C
Molecular Formula
C17H30O7
Molecular Weight
346.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl-PEG5-CH2CO2tBu
CAS Number2098489-63-3
PubChem CID131954381
IUPAC Nametert-butyl 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC17H30O7
Molecular Weight346.4
XLogP0.5
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count24
Formal Charge0
Complexity354
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCCOCC#C
InChI
InChI=1S/C17H30O7/c1-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-15-16(18)24-17(2,3)4/h1H,6-15H2,2-4H3
InChIKey
ZYUYTWWDQAPZRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG5-CH2CO2tBu
CAS: 2098489-63-3
CID: 131954381
Formula: C17H30O7
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass346.19915329
Monoisotopic Mass346.19915329
Topological Polar Surface Area72.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity354
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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