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Endo-BCN-PEG2-alcohol

CAT: 0931-T15222-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15222-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807501-85-4
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Endo-BCN-PEG2-alcohol, a PEG-based linker for PROTACs, facilitates the connection of two essential ligands, critical for the formation of PROTAC molecules, and enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
C(OC(NCCOCCOCCO)=O)[C@H]1C2C1CCC#CCC2
Molecular Formula
C17H27NO5
Molecular Weight
325.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

endo-BCN-PEG2-alcohol
CAS Number1807501-85-4
PubChem CID91757921
IUPAC Name9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
Molecular FormulaC17H27NO5
Molecular Weight325.4
XLogP1.4
Topological Polar Surface Area77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity409
SMILES
C1CC2C(C2COC(=O)NCCOCCOCCO)CCC#C1
InChI
InChI=1S/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20)
InChIKey
PEXDOIHAKXYTET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of endo-BCN-PEG2-alcohol
CAS: 1807501-85-4
CID: 91757921
Formula: C17H27NO5
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass325.18892296
Monoisotopic Mass325.18892296
Topological Polar Surface Area77 Ų
Heavy Atom Count23
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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