2-(4-(Bis(carboxymethyl)amino)-3-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylic acid

Base Information

• Chemical Name: 2-(4-(Bis(carboxymethyl)amino)-3-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylic acid
• CAS No.: 96314-96-4
• Molecular Formula: C32H31N3O12
• Molecular Weight: 840.06
• UNII: N18RMK75W1
• DSSTox Substance ID: DTXSID60242202
• Nikkaji Number: J227.913D
• Wikipedia: Indo-1
• Wikidata: Q6025416
• ChEMBL ID: CHEMBL1205006
• Mol file: 96314-96-4.mol

Synonyms:indo 1;indo-1

Chemical Property of 2-(4-(Bis(carboxymethyl)amino)-3-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-1H-indole-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.707
• Boiling Point: 1016.3°Cat760mmHg
• PKA: pKa1: 6.2; pKa2: 4.35(at 25℃)
• Flash Point: 568.4°C
• PSA: 227.23000
• Density: 1.527g/cm³
• LogP: 3.25050
• Storage Temp.: −20°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 17
• Exact Mass: 649.19077343
• Heavy Atom Count: 47
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Indo 1 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=CC4=C(N3)C=C(C=C4)C(=O)O)N(CC(=O)O)CC(=O)O
• Uses: Indo-1, pentapotassium salt is a fluorescent calcium chelator and indicator with an unusually large shift in fluorescence emission from 480 nm to 400 nm on binding of calcium. Useful for intracellular application. Fluorescent probe primarily for measuring calcium in biological systems. Indo 1 is a fluorescent calcium chelator and indicator with an unusually large shift in fluorescence emission from 480 nm to 400 nm on binding of calcium.