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Tos-PEG4-NH-Boc

CAT: 0931-T18628-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18628-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246999-33-6
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Tos-PEG4-NH-Boc (PROTAC Linker 7) is a PEG-based linker utilized in the synthesis of PROTACs[1].
Smiles
S(OCCOCCOCCOCCNC(OC(C)(C)C)=O)(=O)(=O)C1=CC=C(C)C=C1
Molecular Formula
C20H33NO8S
Molecular Weight
447.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

t-Boc-N-Amido-PEG4-Tos
CAS Number1246999-33-6
PubChem CID23501737
IUPAC Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular FormulaC20H33NO8S
Molecular Weight447.5
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity562
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C20H33NO8S/c1-17-5-7-18(8-6-17)30(23,24)28-16-15-27-14-13-26-12-11-25-10-9-21-19(22)29-20(2,3)4/h5-8H,9-16H2,1-4H3,(H,21,22)
InChIKey
NWLAEQSWDZYPBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-Amido-PEG4-Tos
CAS: 1246999-33-6
CID: 23501737
Formula: C20H33NO8S
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass447.19268818
Monoisotopic Mass447.19268818
Topological Polar Surface Area118 Ų
Heavy Atom Count30
Formal Charge0
Complexity562
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