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S-acetyl-PEG4-NHBoc

CAT: 0931-T38832-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T38832-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1404111-70-1
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
S-acetyl-PEG4-NHBoc is a PEG-based linker for PROTACs, joining two essential ligands to form PROTAC molecules, thereby enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
CC(=O)SCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Molecular Formula
C17H33NO7S
Molecular Weight
395.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-acetyl-PEG4-NHBoc
CAS Number1404111-70-1
PubChem CID156597061
IUPAC NameS-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
Molecular FormulaC17H33NO7S
Molecular Weight395.5
XLogP0.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity375
SMILES
CC(=O)SCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H33NO7S/c1-15(19)26-14-13-24-12-11-23-10-9-22-8-7-21-6-5-18-16(20)25-17(2,3)4/h5-14H2,1-4H3,(H,18,20)
InChIKey
ICWKORBMGMWYBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-acetyl-PEG4-NHBoc
CAS: 1404111-70-1
CID: 156597061
Formula: C17H33NO7S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass395.19777357
Monoisotopic Mass395.19777357
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity375
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