5-Bromo-5'-methyl BAPTA tetramethyl ester

Catalog Number	A14-0119
Category	Calcium, Chloride and Other indicators
Molecular Formula	C27H33BrN2O10
Molecular Weight	625.46

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Product Introduction

5-Bromo-5'-methyl BAPTA tetramethyl ester is a specialized calcium chelator bearing a brominated aromatic structure, which is integral to its role in fluorescence-based calcium detection assays. It features a tetramethyl ester moiety that facilitates cell permeability, making it suitable for intracellular calcium imaging applications. This compound is often incorporated into fluorescence microscopy workflows to monitor calcium fluxes in live cells, supporting research in cellular signaling and physiology.

Chemical Information
Computed Properties

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
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
InChIKey	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	130Å²
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