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Br-PEG3-MS

CAT: 0013-GTR19261075-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261075-01Size:10 mg
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Description
Br-PEG3-MS is a PROTAC linker classified under the PEG category, used for the synthesis of PROTAC molecules.
CAS Number
2702323-73-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=S (=O) (OCCOCCOCCBr) C
Molecular Formula
C7H15BrO5S
Molecular Weight
291.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Br-PEG3-MS
CAS Number2702323-73-5
PubChem CID162343270
IUPAC Name2-[2-(2-bromoethoxy)ethoxy]ethyl methanesulfonate
Molecular FormulaC7H15BrO5S
Molecular Weight291.16
XLogP0.1
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
CS(=O)(=O)OCCOCCOCCBr
InChI
InChI=1S/C7H15BrO5S/c1-14(9,10)13-7-6-12-5-4-11-3-2-8/h2-7H2,1H3
InChIKey
NKBMJZIHSUUABO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Br-PEG3-MS
CAS: 2702323-73-5
CID: 162343270
Formula: C7H15BrO5S
MW: 291.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.16
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass289.98236
Monoisotopic Mass289.98236
Topological Polar Surface Area70.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
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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