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N- (m-PEG4) -N'-hydroxypropyl-Cy5

CAT: 0931-T18430-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18430-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2107273-20-9
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
N- (m-PEG4) -N'-hydroxypropyl-Cy5 is a polyethylene glycol (PEG) -based linker utilized in PROTACs synthesis[1].
Smiles
[Cl-].OCCC[N+]=1C=2C=CC=CC2C(C1C=CC=CC=C3N(C=4C=CC=CC4C3(C)C)CCOCCOCCOCCOC)(C)C
Molecular Formula
C37H51ClN2O5
Molecular Weight
639.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(m-PEG4)-N'-hydroxypropyl-Cy5
CAS Number2107273-20-9
PubChem CID119058347
IUPAC Name3-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]propan-1-ol chloride
Molecular FormulaC37H51ClN2O5
Molecular Weight639.3
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count45
Formal Charge0
Complexity1000
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCCO)C.[Cl-]
InChI
InChI=1S/C37H51N2O5.ClH/c1-36(2)30-14-9-11-16-32(30)38(20-13-22-40)34(36)18-7-6-8-19-35-37(3,4)31-15-10-12-17-33(31)39(35)21-23-42-26-27-44-29-28-43-25-24-41-5;/h6-12,14-19,40H,13,20-29H2,1-5H3;1H/q+1;/p-1
InChIKey
FKGCBDKCXSNHNK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of N-(m-PEG4)-N'-hydroxypropyl-Cy5
CAS: 2107273-20-9
CID: 119058347
Formula: C37H51ClN2O5
MW: 639.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass638.3486504
Monoisotopic Mass638.3486504
Topological Polar Surface Area63.4 Ų
Heavy Atom Count45
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-141074N- (m-PEG4) -N'-hydroxypropyl-Cy5
MBS5771289N-(m-PEG4)-N'-hydroxypropyl-Cy5
MBS5771291N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(propargyl-PEG4)-Cy5
GTR19225196-01N- (m-PEG4) -N'- (PEG4-acid) -Cy5
MBS5771290N-(m-PEG4)-N'-(m-PEG4)-O-(m-PEG4)-O'-(azide-PEG4)-Cy5
GTR19225202-01N- (m-PEG4) -N'- (m-PEG4) -O- (m-PEG4) -O'- (azide-PEG4) -Cy5
MBS5771295N-(m-PEG4)-N'-(PEG4-acid)-Cy5
GTR19225200-01N- (m-PEG4) -N'- (m-PEG4) -O- (m-PEG4) -O'- (propargyl-PEG4) -Cy5
HY-141071N- (m-PEG4) -N'- (DBCO-PEG4) -Cy5
MBS5771287N-(m-PEG4)-N'-(DBCO-PEG4)-Cy5

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