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Br-PEG4-C2-Boc

CAT: 0931-T14771-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T14771-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
564476-32-0
Target
ADC Linker, PROTAC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
Br-PEG4-C2-Boc is a cleavable 4-unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
C(OCCOCCOCCOCCBr)CC(OC(C)(C)C)=O
Molecular Formula
C15H29BrO6
Molecular Weight
385.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bromo-PEG4-t-butyl ester
CAS Number564476-32-0
PubChem CID12082266
IUPAC Nametert-butyl 3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC15H29BrO6
Molecular Weight385.29
XLogP1.2
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity267
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr
InChI
InChI=1S/C15H29BrO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13H2,1-3H3
InChIKey
WLKHUFASPMJBHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG4-t-butyl ester
CAS: 564476-32-0
CID: 12082266
Formula: C15H29BrO6
MW: 385.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.29
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass384.11475
Monoisotopic Mass384.11475
Topological Polar Surface Area63.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity267
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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