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Endo-BCN-O-PNB

CAT: 0931-T38668-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T38668-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1263166-91-1
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Endo-BCN-O-PNB is a alkyl/ether-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)Oc1ccc(cc1)[N+]([O-])=O
Molecular Formula
C17H17NO5
Molecular Weight
315.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

endo-BCN-O-PNB
CAS Number1263166-91-1
PubChem CID77078536
IUPAC Name[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate
Molecular FormulaC17H17NO5
Molecular Weight315.32
XLogP4.3
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity502
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1
InChI
InChI=1S/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16?
InChIKey
QXNXOXMDBLHIDB-XYPWUTKMSA-N
Chemical Structure
2D Structure
2D structure of endo-BCN-O-PNB
CAS: 1263166-91-1
CID: 77078536
Formula: C17H17NO5
MW: 315.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.32
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass315.11067264
Monoisotopic Mass315.11067264
Topological Polar Surface Area81.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes