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Hydroxy-PEG6-Boc

CAT: 0804-HY-141203-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-141203-03Size:1 g
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Description
Hydroxy-PEG7-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
361189-64-2
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hydroxy-peg6-boc.html
Purity
99.98
Solubility
DMSO : 70 mg/mL (ultrasonic)
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCOCCO
Molecular Formula
C19H38O9
Molecular Weight
410.50
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Hydroxy-PEG6-t-butyl ester
CAS Number361189-64-2
PubChem CID51341046
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H38O9
Molecular Weight410.5
XLogP-0.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count28
Formal Charge0
Complexity345
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C19H38O9/c1-19(2,3)28-18(21)4-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-5-20/h20H,4-17H2,1-3H3
InChIKey
VGGDPFAYSOSIOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG6-t-butyl ester
CAS: 361189-64-2
CID: 51341046
Formula: C19H38O9
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass410.25158279
Monoisotopic Mass410.25158279
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity345
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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