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Hydroxy-Amino-bis (PEG1-C2-Boc)

CAT: 0013-GTR19226502-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226502-01Size:100 mg
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Description
Hydroxy-Amino-bis (PEG1-C2-Boc) is a bifunctional, Boc-protected linker featuring alkyl and ether chains. It is primarily utilized in chemical research for constructing PROTAC molecules, which are investigated in both in vitro and in vivo studies for targeted protein degradation.
CAS Number
1415800-34-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) CCOCCN (CCO) CCOCCC (=O) OC (C) (C) C
Molecular Formula
C20H39NO7
Molecular Weight
405.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydroxy-Amino-bis(PEG1-C2-Boc)
CAS Number1415800-34-8
PubChem CID77078533
IUPAC Nametert-butyl 3-[2-[2-hydroxyethyl-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethyl]amino]ethoxy]propanoate
Molecular FormulaC20H39NO7
Molecular Weight405.5
XLogP0.9
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity403
SMILES
CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H39NO7/c1-19(2,3)27-17(23)7-13-25-15-10-21(9-12-22)11-16-26-14-8-18(24)28-20(4,5)6/h22H,7-16H2,1-6H3
InChIKey
OUIZBEKRHPKXAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-Amino-bis(PEG1-C2-Boc)
CAS: 1415800-34-8
CID: 77078533
Formula: C20H39NO7
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass405.27265258
Monoisotopic Mass405.27265258
Topological Polar Surface Area94.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity403
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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