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Cbz-NH-PEG3-tosyl

CAT: 0804-HY-W580126Size: 1 EachDry Ice: NoHazardous: No
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Description
Cbz-NH-PEG3-tosyl is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
2098983-15-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(OCC=1C=CC=CC1)NCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
Molecular Formula
C21H27NO7S
Molecular Weight
437.51
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-yl 4-methylbenzenesulfonate
CAS Number2098983-15-2
PubChem CID141668625
IUPAC Name2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular FormulaC21H27NO7S
Molecular Weight437.5
XLogP2.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity564
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H27NO7S/c1-18-7-9-20(10-8-18)30(24,25)29-16-15-27-14-13-26-12-11-22-21(23)28-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,23)
InChIKey
MVOVZYARJJDYFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Oxo-1-phenyl-2,7,10-trioxa-4-azadodecan-12-yl 4-methylbenzenesulfonate
CAS: 2098983-15-2
CID: 141668625
Formula: C21H27NO7S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass437.15082337
Monoisotopic Mass437.15082337
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity564
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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