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Ald-Ph-amido-PEG2-C2-Pfp ester

CAT: 0804-HY-130103-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130103-01Size:25 mg
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Description
Ald-Ph-amido-PEG2-C2-Pfp ester is a nonclaevable 2-unit PEG linker for antibody-agent-conjugation (ADC) .
CAS Number
2101206-60-2
UNSPSC
12352203
Hazard Statement
H302
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ald-phe-amido-peg2-c2-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)CCOCCOCCNC(C2=CC=C(C=O)C=C2)=O
Molecular Formula
C21H18F5NO6
Molecular Weight
475.36
Precautions
P264-P270-P330-P501
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

Ald-Ph-amido-PEG2-C2-Pfp ester
CAS Number2101206-60-2
PubChem CID129896970
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]propanoate
Molecular FormulaC21H18F5NO6
Molecular Weight475.4
XLogP2.2
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity620
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C21H18F5NO6/c22-15-16(23)18(25)20(19(26)17(15)24)33-14(29)5-7-31-9-10-32-8-6-27-21(30)13-3-1-12(11-28)2-4-13/h1-4,11H,5-10H2,(H,27,30)
InChIKey
TZCKVEZMOMYKNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ald-Ph-amido-PEG2-C2-Pfp ester
CAS: 2101206-60-2
CID: 129896970
Formula: C21H18F5NO6
MW: 475.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass475.10542810
Monoisotopic Mass475.10542810
Topological Polar Surface Area90.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity620
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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