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HS-PEG6-CH2CH2-Boc

CAT: 0931-T15504-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T15504-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1818294-40-4
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
HS-PEG6-CH2CH2-Boc is a PEG-based linker utilized in PROTACs to connect two essential ligands, facilitating selective protein degradation through the ubiquitin-proteasome system within cells.
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCS
Molecular Formula
C19H38O8S
Molecular Weight
426.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thiol-PEG6-t-butyl ester
CAS Number1818294-40-4
PubChem CID77078364
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H38O8S
Molecular Weight426.6
XLogP0.4
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count28
Formal Charge0
Complexity349
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCS
InChI
InChI=1S/C19H38O8S/c1-19(2,3)27-18(20)4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-16-17-28/h28H,4-17H2,1-3H3
InChIKey
LPOFWHQVCATSPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiol-PEG6-t-butyl ester
CAS: 1818294-40-4
CID: 77078364
Formula: C19H38O8S
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass426.22873934
Monoisotopic Mass426.22873934
Topological Polar Surface Area82.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity349
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