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Bis-PEG1-PFP ester

CAT: 0013-GTR19226585-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226585-02Size:500 mg
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Description
Bis-PEG1-PFP ester is a non-cleavable linker used to construct stable antibody-drug conjugates (ADCs) for targeted cancer therapy research. Its incorporated PEG spacer enhances solubility and is utilized in both in vitro cytotoxicity assays and in vivo preclinical studies to develop novel biotherapeutics.
CAS Number
1807539-02-1
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC=1C (F) =C (F) C (F) =C (F) C1F) CCOCCC (=O) OC=2C (F) =C (F) C (F) =C (F) C2F
Molecular Formula
C18H8F10O5
Molecular Weight
494.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-PEG1-PFP ester
CAS Number1807539-02-1
PubChem CID77078355
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]propanoate
Molecular FormulaC18H8F10O5
Molecular Weight494.2
XLogP3.8
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity589
SMILES
C(COCCC(=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/C18H8F10O5/c19-7-9(21)13(25)17(14(26)10(7)22)32-5(29)1-3-31-4-2-6(30)33-18-15(27)11(23)8(20)12(24)16(18)28/h1-4H2
InChIKey
PACGANKFUNUYHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG1-PFP ester
CAS: 1807539-02-1
CID: 77078355
Formula: C18H8F10O5
MW: 494.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.2
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass494.02120497
Monoisotopic Mass494.02120497
Topological Polar Surface Area61.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity589
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