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TsO-PEG3-NH-CO-OBn

CAT: 0013-GTR19276047-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276047-01Size:50 mg
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Description
TsO-PEG3-NH-CO-OBn is a PROTAC linker designed for the synthesis of PROTAC molecules.
CAS Number
1451362-50-7
Smiles
O=C (OCC=1C=CC=CC1) NCCOCCOCCOCCOS (=O) (=O) C2=CC=C (C=C2) C
Molecular Formula
C23H31NO8S
Molecular Weight
481.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Oxo-1-phenyl-2,7,10,13-tetraoxa-4-azapentadecan-15-yl 4-methylbenzenesulfonate
CAS Number1451362-50-7
PubChem CID155754040
IUPAC Name2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Molecular FormulaC23H31NO8S
Molecular Weight481.6
XLogP2.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity610
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H31NO8S/c1-20-7-9-22(10-8-20)33(26,27)32-18-17-30-16-15-29-14-13-28-12-11-24-23(25)31-19-21-5-3-2-4-6-21/h2-10H,11-19H2,1H3,(H,24,25)
InChIKey
LQEIYRIDUOHZKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Oxo-1-phenyl-2,7,10,13-tetraoxa-4-azapentadecan-15-yl 4-methylbenzenesulfonate
CAS: 1451362-50-7
CID: 155754040
Formula: C23H31NO8S
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass481.17703812
Monoisotopic Mass481.17703812
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity610
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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