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Thiol-PEG4-Boc

CAT: 0931-T17078-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T17078-02Size:10 mg
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CAS Number
564476-33-1
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Thiol-PEG4-Boc is a PEG-based linker for PROTACs that connects two key ligands, essential for forming PROTAC molecules, facilitating selective protein degradation via the ubiquitin-proteasome system within cells.
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCS
Molecular Formula
C15H30O6S
Molecular Weight
338.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thiol-PEG4-t-butyl ester
CAS Number564476-33-1
PubChem CID12082267
IUPAC Nametert-butyl 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC15H30O6S
Molecular Weight338.5
XLogP0.7
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity267
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS
InChI
InChI=1S/C15H30O6S/c1-15(2,3)21-14(16)4-5-17-6-7-18-8-9-19-10-11-20-12-13-22/h22H,4-13H2,1-3H3
InChIKey
NKLWGDQDZRFINM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiol-PEG4-t-butyl ester
CAS: 564476-33-1
CID: 12082267
Formula: C15H30O6S
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass338.17630985
Monoisotopic Mass338.17630985
Topological Polar Surface Area64.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity267
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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