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Bis-PEG6-t-butyl ester

CAT: 0931-T40540-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T40540-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
439114-12-2
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Bis-PEG6-t-butyl ester is a PEG-based linker for PROTACs, joining two essential ligands crucial for forming PROTAC molecules, and enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
Molecular Formula
C22H42O9
Molecular Weight
450.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis-PEG5-t-butyl ester
CAS Number439114-12-2
PubChem CID18374579
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC22H42O9
Molecular Weight450.6
XLogP1.1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count31
Formal Charge0
Complexity425
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C22H42O9/c1-21(2,3)30-19(23)7-9-25-11-13-27-15-17-29-18-16-28-14-12-26-10-8-20(24)31-22(4,5)6/h7-18H2,1-6H3
InChIKey
RYJCLSVRARTBFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG5-t-butyl ester
CAS: 439114-12-2
CID: 18374579
Formula: C22H42O9
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass450.28288291
Monoisotopic Mass450.28288291
Topological Polar Surface Area98.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity425
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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Alternative Products

CatalogName
MBS5800766Bis-PEG6-t-butyl ester
HY-132034-01Benzyl-PEG6-t-butyl ester
572690Acid-PEG6-t-butyl ester
BIPG1075-01Amino-PEG6-t-butyl ester
BIPG1865-01Tos-PEG6-t-Butyl ester
BIPG1452-01Hydroxy-PEG6-t-butyl ester
BIPG1390-01DNP-PEG6-t-butyl ester
BIPG1789SPDP-PEG6-t-butyl ester
sc-496478Thiol-PEG6-t-butyl ester
FEC19795Propargyl-PEG6-t-butyl ester

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