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Propargyl-PEG4-Sulfone-PEG4-Boc

CAT: 0013-GTR19225060-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225060-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This Boc-protected, PEG-based linker is designed for constructing PROTACs, which are bifunctional molecules used in chemical biology and drug discovery research. Its sulfone and propargyl groups facilitate conjugation, enabling the study of targeted protein degradation in both cellular and biochemical assays.
CAS Number
2055024-43-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) CCOCCOCCOCCOCCS (=O) (=O) CCOCCOCCOCCOCC#C
Molecular Formula
C26H48O12S
Molecular Weight
584.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl-PEG4-Sulfone-PEG4-t-butyl ester
CAS Number2055024-43-4
PubChem CID123132151
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC26H48O12S
Molecular Weight584.7
XLogP-0.7
Topological Polar Surface Area143
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity721
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCC#C
InChI
InChI=1S/C26H48O12S/c1-5-7-30-9-11-32-13-15-34-17-19-36-21-23-39(28,29)24-22-37-20-18-35-16-14-33-12-10-31-8-6-25(27)38-26(2,3)4/h1H,6-24H2,2-4H3
InChIKey
CWRIXFFIEVWNLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-Sulfone-PEG4-t-butyl ester
CAS: 2055024-43-4
CID: 123132151
Formula: C26H48O12S
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP3-0.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Exact Mass584.28664814
Monoisotopic Mass584.28664814
Topological Polar Surface Area143 Ų
Heavy Atom Count39
Formal Charge0
Complexity721
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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