Pyrene-PEG5-biotin

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Pyrene-PEG5-biotin

Pyrene-PEG5-biotin

Catalog Number F08-0005
Category Pyrene
Molecular Formula C₃₉H₅₀N₄O₈S
Molecular Weight 734.90
Catalog Number Size Price Quantity
F08-0005 -- $--

Product Introduction

Pyrene-PEG5-biotin is a polyethylene glycol (PEG)-based PROTAC linker. Pyrene-PEG5-biotin can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 97%
IUPAC Name N-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrene-1-carboxamide
Canonical SMILES C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)NC(=O)N2
InChI InChI=1S/C39H50N4O8S/c44-34(7-2-1-6-33-37-32(26-52-33)42-39(46)43-37)40-14-16-47-18-20-49-22-24-51-25-23-50-21-19-48-17-15-41-38(45)31-13-11-29-9-8-27-4-3-5-28-10-12-30(31)36(29)35(27)28/h3-5,8-13,32-33,37H,1-2,6-7,14-26H2,(H,40,44)(H,41,45)(H2,42,43,46)/t32-,33-,37-/m0/s1
InChI Key ODIVXJVCOCDDJO-BMQPFVSWSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 3.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 24
Exact Mass 734.33493574 g/mol
Monoisotopic Mass 734.33493574 g/mol
Topological Polar Surface Area 171Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1120
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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