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Ald-Ph-amido-PEG3-C2-Pfp ester

CAT: 0931-T17385-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17385-01Size:100 mg
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CAS Number
2101206-21-5
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Ald-Ph-amido-PEG3-C2-Pfp ester is a noncleavable antibody-drug conjugate (ADC) linker, classified as a polyethylene glycol (PEG) linker.
Smiles
O=CC1=CC=C(C=C1)C(=O)NCCOCCOCCOCCC(=O)OC=2C(F)=C(F)C(F)=C(F)C2F
Molecular Formula
C23H22F5NO7
Molecular Weight
519.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ald-Ph-amido-PEG3-C2-Pfp ester
CAS Number2101206-21-5
PubChem CID129896968
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC23H22F5NO7
Molecular Weight519.4
XLogP2.1
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count36
Formal Charge0
Complexity667
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C23H22F5NO7/c24-17-18(25)20(27)22(21(28)19(17)26)36-16(31)5-7-33-9-11-35-12-10-34-8-6-29-23(32)15-3-1-14(13-30)2-4-15/h1-4,13H,5-12H2,(H,29,32)
InChIKey
UZFBSFAFSYFMJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-amido-PEG3-C2-Pfp ester
CAS: 2101206-21-5
CID: 129896968
Formula: C23H22F5NO7
MW: 519.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight519.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass519.13164285
Monoisotopic Mass519.13164285
Topological Polar Surface Area100 Ų
Heavy Atom Count36
Formal Charge0
Complexity667
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