5-Bromo-5'-methyl BAPTA tetramethyl ester

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5-Bromo-5'-methyl BAPTA tetramethyl ester

5-Bromo-5'-methyl BAPTA tetramethyl ester

Catalog Number A14-0119
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C27H33BrN2O10
Molecular Weight 625.46
Catalog Number Size Price Quantity
A14-0119 -- $--

Product Introduction

5-Bromo-5'-methyl BAPTA tetramethyl ester is a derivative of BAPTA, which is a calcium indicator suitable for measurement of relatively high level of calcium.

Chemical Information

IUPAC Name methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-bromophenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate
Canonical SMILES CC1=CC(=C(C=C1)N(CC(=O)OC)CC(=O)OC)OCCOC2=C(C=CC(=C2)Br)N(CC(=O)OC)CC(=O)OC
InChI InChI=1S/C27H33BrN2O10/c1-18-6-8-20(29(14-24(31)35-2)15-25(32)36-3)22(12-18)39-10-11-40-23-13-19(28)7-9-21(23)30(16-26(33)37-4)17-27(34)38-5/h6-9,12-13H,10-11,14-17H2,1-5H3
InChI Key SXCYTVPSAWGQKM-UHFFFAOYSA-N
Appearance Solid Powder

Computed Properties

XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 19
Exact Mass 624.13186 g/mol
Monoisotopic Mass 624.13186 g/mol
Topological Polar Surface Area 130Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 795
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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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