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Iodine-C3-O-C3-PEG-Boc

CAT: 0804-HY-W442078-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W442078-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Iodine-C3-O-C3-PEG-Boc is a PROTAC linker that can be used in the synthesis of PROTACs, such as SJF-8240.
CAS Number
2230826-08-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Purity
98.0
Smiles
O=C(OC(C)(C)C)CCOCCCOCCCI
Molecular Formula
C13H25IO4
Molecular Weight
372.24
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

tert-Butyl 3-(3-(3-iodopropoxy)propoxy)propanoate
CAS Number2230826-08-9
PubChem CID135156970
IUPAC Nametert-butyl 3-[3-(3-iodopropoxy)propoxy]propanoate
Molecular FormulaC13H25IO4
Molecular Weight372.24
XLogP2.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity214
SMILES
CC(C)(C)OC(=O)CCOCCCOCCCI
InChI
InChI=1S/C13H25IO4/c1-13(2,3)18-12(15)6-11-17-10-5-9-16-8-4-7-14/h4-11H2,1-3H3
InChIKey
DKVPKNHGWFINKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-(3-(3-iodopropoxy)propoxy)propanoate
CAS: 2230826-08-9
CID: 135156970
Formula: C13H25IO4
MW: 372.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.24
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass372.07976
Monoisotopic Mass372.07976
Topological Polar Surface Area44.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity214
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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