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Methyltetrazine-PEG5-alkyne

CAT: 0931-T16059-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16059-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802907-97-6
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Methyltetrazine-PEG5-alkyne, a PEG-based PROTAC linker, is utilized in synthesizing PROTACs[1].
Smiles
O(CCOCCOCCOCCOCC#C)C1=CC=C(C=C1)C=2N=NC(C)=NN2
Molecular Formula
C20H26N4O5
Molecular Weight
402.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyltetrazine-PEG5-Alkyne
CAS Number1802907-97-6
PubChem CID86580462
IUPAC Name3-methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine
Molecular FormulaC20H26N4O5
Molecular Weight402.4
XLogP0.2
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity445
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C
InChI
InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3
InChIKey
OAKPIEOTVXLRCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyltetrazine-PEG5-Alkyne
CAS: 1802907-97-6
CID: 86580462
Formula: C20H26N4O5
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass402.19031994
Monoisotopic Mass402.19031994
Topological Polar Surface Area97.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity445
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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CXC90797Methyltetrazine-PEG5-alkyne
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MBS5771212Methyltetrazine-PEG5-methyltetrazine
MD007007-5-01Alkyne-PEG5-Alkyne
HY-141283-01Methyltetrazine-PEG5-triethoxysilane
HY-141269-01Methyltetrazine-PEG5-NHS ester
MD007128-5Alkyne-PEG5-CH2COOtBu
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