Biotin-PEG4-methyltetrazine | 1835759-81-3

Catalog Number	R08-0031
Category	Tetrazines
Molecular Formula	C₂₇H₃₉N₇O₆S
Molecular Weight	589.71

Catalog Number	Size	Price	Quantity
R08-0031	--	$--

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Product Introduction

Biotin-PEG4-methyltetrazine is a polyethylene glycol (PEG)-based PROTAC linker. Biotin-PEG4-methyltetrazine can be used in the synthesis of a series of PROTACs.

Chemical Information
Purity	95%
IUPAC Name	5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Canonical SMILES	CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChI	InChI=1S/C27H39N7O6S/c1-19-31-33-26(34-32-19)20-6-8-21(9-7-20)40-17-16-39-15-14-38-13-12-37-11-10-28-24(35)5-3-2-4-23-25-22(18-41-23)29-27(36)30-25/h6-9,22-23,25H,2-5,10-18H2,1H3,(H,28,35)(H2,29,30,36)/t22-,23-,25-/m1/s1
InChI Key	FTGDGKKLLGMCLG-VDKIKQQVSA-N
Solubility	In DMSO: 50 mg/mL (84.79 mM; Need ultrasonic)

Product Specification

Storage

4°C, sealed storage, away from moisture; In solvent, -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Computed Properties
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	589.26825316 g/mol
Monoisotopic Mass	589.26825316 g/mol
Topological Polar Surface Area	184Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	770
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

Applications of Fluorescent Probes & Dyes

Laser Dye

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Biotin-PEG4-methyltetrazine | 1835759-81-3

Product Introduction

Chemical Information

Computed Properties