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Bis-PEG9-PFP ester

CAT: 0931-T17631-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T17631-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334170-00-1
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Bis-PEG9-PFP ester is a PEG-based linker for PROTACs [which joins two essential ligands, crucial for forming PROTAC molecules]. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C(OC=1C(F)=C(F)C(F)=C(F)C1F)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC=2C(F)=C(F)C(F)=C(F)C2F
Molecular Formula
C34H40F10O13
Molecular Weight
846.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis-PEG9-PFP ester
CAS Number1334170-00-1
PubChem CID60146161
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC34H40F10O13
Molecular Weight846.7
XLogP2.7
Topological Polar Surface Area136
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count34
Heavy Atom Count57
Formal Charge0
Complexity956
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C34H40F10O13/c35-23-25(37)29(41)33(30(42)26(23)38)56-21(45)1-3-47-5-7-49-9-11-51-13-15-53-17-19-55-20-18-54-16-14-52-12-10-50-8-6-48-4-2-22(46)57-34-31(43)27(39)24(36)28(40)32(34)44/h1-20H2
InChIKey
OFZQOXAQZALFLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG9-PFP ester
CAS: 1334170-00-1
CID: 60146161
Formula: C34H40F10O13
MW: 846.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight846.7
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count23
Rotatable Bond Count34
Exact Mass846.23092295
Monoisotopic Mass846.23092295
Topological Polar Surface Area136 Ų
Heavy Atom Count57
Formal Charge0
Complexity956
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