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Mal-PEG2-PFP ester

CAT: 0013-GTR19226374-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226374-01Size:100 mg
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Description
Mal-PEG2-PFP ester is an alkyl/ether-based linker used in constructing PROTAC molecules. This bifunctional reagent facilitates the conjugation of ligands, enabling the synthesis of degraders for target proteins in both cellular and biochemical research applications.
CAS Number
1807512-47-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C17H14F5NO6
Molecular Weight
423.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG2-PFP
CAS Number1807512-47-5
PubChem CID77078350
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
Molecular FormulaC17H14F5NO6
Molecular Weight423.29
XLogP1.1
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity601
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C17H14F5NO6/c18-12-13(19)15(21)17(16(22)14(12)20)29-11(26)3-5-27-7-8-28-6-4-23-9(24)1-2-10(23)25/h1-2H,3-8H2
InChIKey
YMKYKJKJMZSGEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG2-PFP
CAS: 1807512-47-5
CID: 77078350
Formula: C17H14F5NO6
MW: 423.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.29
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass423.07412798
Monoisotopic Mass423.07412798
Topological Polar Surface Area82.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity601
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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