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Bromoacetamido-PEG2-C2-NHS ester

CAT: 0013-GTR19231735Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231735Size:2 mg
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Description
Bromoacetamido-PEG2-C2-NHS ester is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation. This reagent enables the conjugation of ligands via its NHS ester and bromoacetamide groups, facilitating research in chemical biology and drug discovery for both in vitro and cellular studies.
CAS Number
1353011-78-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
BrCC (=O) NCCOCCOCCC (=O) ON1C (=O) CCC1=O
Molecular Formula
C13H19BrN2O7
Molecular Weight
395.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromoacetamido-PEG2-NHS ester
CAS Number1353011-78-5
PubChem CID60146182
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]propanoate
Molecular FormulaC13H19BrN2O7
Molecular Weight395.20
XLogP-1
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity428
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CBr
InChI
InChI=1S/C13H19BrN2O7/c14-9-10(17)15-4-6-22-8-7-21-5-3-13(20)23-16-11(18)1-2-12(16)19/h1-9H2,(H,15,17)
InChIKey
HDIXVXMKIWXBFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG2-NHS ester
CAS: 1353011-78-5
CID: 60146182
Formula: C13H19BrN2O7
MW: 395.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.20
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass394.03756
Monoisotopic Mass394.03756
Topological Polar Surface Area111 Ų
Heavy Atom Count23
Formal Charge0
Complexity428
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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