BDP TR methyltetrazine

What We Offer

BDP TR methyltetrazine

BDP TR methyltetrazine | 2183473-54-1

Catelog Number F01-0222
Category BODIPY
Molecular Formula C31H24BF2N7O2S
Molecular Weight 607.5
Catalog Number Size Price Quantity
F01-0222 -- $--

Product Introduction

BDP TR methyltetrazine is a BDP dye linker containing a methyltetrazine group. Methyltetrazine is reactive toward trans-cyclooctenes. The additional methyl on the methyltetrazine enhances the stability of the group.

Chemical Information

Synonyms BDPTRmethyltetrazine
Purity 98%
IUPAC Name 2-[4-(2,2-difluoro-12-thiophen-2-yl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-5,7,9,11-tetraen-4-yl)phenoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]acetamide
Canonical SMILES [B-]1(N2C(C=CC2=CC3=CC=C(N31)C4=CC=CS4)C5=CC=C(C=C5)OCC(=O)NCC6=CC=C(C=C6)C7=NN=C(N=N7)C)(F)F
InChI InChI=1S/C31H25BF2N7O2S/c1-20-36-38-31(39-37-20)23-6-4-21(5-7-23)18-35-30(42)19-43-26-12-8-22(9-13-26)27-14-10-24-17-25-11-15-28(29-3-2-16-44-29)41(25)32(33,34)40(24)27/h2-17,27H,18-19H2,1H3,(H,35,42)/q-1
InChI Key MZDFKWBMDRSAJA-UHFFFAOYSA-N
Solubility DMF, DMSO, DCM

Product Specification

Fluorescence Quantum Yield 0.90
Excitation 589
Emission 616
Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 8
Exact Mass 608.1851557 g/mol
Monoisotopic Mass 608.1851557 g/mol
Topological Polar Surface Area 126Ų
Heavy Atom Count 44
Formal Charge -1
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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