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Boc-PEG5-methyl ester

CAT: 0804-HY-138373-04Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138373-04Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-PEG5-methyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807530-04-6
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/boc-peg5-methyl-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCC(OC)=O
Molecular Formula
C19H36O9
Molecular Weight
408.48
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Boc-PEG5-methyl ester
CAS Number1807530-04-6
PubChem CID77078228
IUPAC Namemethyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H36O9
Molecular Weight408.5
XLogP0.1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count28
Formal Charge0
Complexity393
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(=O)OC
InChI
InChI=1S/C19H36O9/c1-19(2,3)28-18(21)6-8-24-10-12-26-14-16-27-15-13-25-11-9-23-7-5-17(20)22-4/h5-16H2,1-4H3
InChIKey
BJNQNORQYFJOCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-PEG5-methyl ester
CAS: 1807530-04-6
CID: 77078228
Formula: C19H36O9
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass408.23593272
Monoisotopic Mass408.23593272
Topological Polar Surface Area98.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity393
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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