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Bromoacetamido-PEG3-C2-acid

CAT: 0931-T14820-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14820-01Size:100 mg
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CAS Number
1807534-79-7
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Bromoacetamido-PEG3-C2-acid is a polyethylene glycol (PEG) derived linker utilized in the synthesis of proteolysis targeting chimeras (PROTACs) [1].
Smiles
O=C(O)CCOCCOCCOCCNC(=O)CBr
Molecular Formula
C11H20BrNO6
Molecular Weight
342.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bromoacetamido-PEG3-Acid
CAS Number1807534-79-7
PubChem CID91809468
IUPAC Name3-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC11H20BrNO6
Molecular Weight342.18
XLogP-0.6
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity251
SMILES
C(COCCOCCOCCNC(=O)CBr)C(=O)O
InChI
InChI=1S/C11H20BrNO6/c12-9-10(14)13-2-4-18-6-8-19-7-5-17-3-1-11(15)16/h1-9H2,(H,13,14)(H,15,16)
InChIKey
NZRUJYJTSFKZEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG3-Acid
CAS: 1807534-79-7
CID: 91809468
Formula: C11H20BrNO6
MW: 342.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.18
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass341.04740
Monoisotopic Mass341.04740
Topological Polar Surface Area94.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity251
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