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Mal-PEG5-PFP ester

CAT: 0931-T15998-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15998-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807512-46-4
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Mal-PEG5-PFP ester is a PEG-based linker for PROTACs that joins two essential ligands, crucial for forming PROTAC molecules. This linker facilitates selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
O=C(OC=1C(F)=C(F)C(F)=C(F)C1F)CCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
Molecular Formula
C23H26F5NO9
Molecular Weight
555.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-PEG5-PFP
CAS Number1807512-46-4
PubChem CID77078348
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC23H26F5NO9
Molecular Weight555.4
XLogP0.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Heavy Atom Count38
Formal Charge0
Complexity744
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C23H26F5NO9/c24-18-19(25)21(27)23(22(28)20(18)26)38-17(32)3-5-33-7-9-35-11-13-37-14-12-36-10-8-34-6-4-29-15(30)1-2-16(29)31/h1-2H,3-14H2
InChIKey
HVQHYQSUANAJJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG5-PFP
CAS: 1807512-46-4
CID: 77078348
Formula: C23H26F5NO9
MW: 555.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight555.4
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Exact Mass555.15277222
Monoisotopic Mass555.15277222
Topological Polar Surface Area110 Ų
Heavy Atom Count38
Formal Charge0
Complexity744
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