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Ph-PEG5-Br

CAT: 0013-GTR19276937-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276937-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ph-PEG5-Br is a PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
675606-48-1
Smiles
BrCCOCCOCCOCCOCCOCC=1C=CC=CC1
Molecular Formula
C17H27BrO5
Molecular Weight
391.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

16-Bromo-1-phenyl-2,5,8,11,14-pentaoxahexadecane
CAS Number675606-48-1
PubChem CID58687755
IUPAC Name2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
Molecular FormulaC17H27BrO5
Molecular Weight391.3
XLogP1.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity237
SMILES
C1=CC=C(C=C1)COCCOCCOCCOCCOCCBr
InChI
InChI=1S/C17H27BrO5/c18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-23-16-17-4-2-1-3-5-17/h1-5H,6-16H2
InChIKey
QHBDCYDPGFZZQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Bromo-1-phenyl-2,5,8,11,14-pentaoxahexadecane
CAS: 675606-48-1
CID: 58687755
Formula: C17H27BrO5
MW: 391.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass390.10419
Monoisotopic Mass390.10419
Topological Polar Surface Area46.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity237
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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