Brilliant Blue
TL;DR: Brilliant Blue (CAS 71701-19-4) is a chemical compound with molecular formula C37H34KN2NaO9S3 and molecular weight 808.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;sodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Also Known As: Brilliant Blue, Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, potassium sodium salt, Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, potassium sodium salt (1:1:1), Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, potassium sodium salt, Dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]-2-sulphonatobenzylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, potassium sodium salt
| Molecular Formula | C37H34KN2NaO9S3 |
|---|---|
| Molecular Weight | 808.10 g/mol |
| LogP | -0.9651 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 808.0961 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 71701-19-4 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[K+] |
| InChIKey | UVHCGJRQTNCABI-UHFFFAOYSA-L |
Product Overview
Brilliant Blue (CAS 71701-19-4), with molecular formula C37H34KN2NaO9S3 and molecular weight 808.10 g/mol. IUPAC: potassium;sodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.
Chemical Property Profile of Brilliant Blue
Property Insights of Brilliant Blue
The XLogP value of -0.9651 indicates that Brilliant Blue is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting Brilliant Blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brilliant Blue has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brilliant Blue?
The CAS number of Brilliant Blue is 71701-19-4.
What is the molecular formula of Brilliant Blue?
The molecular formula of Brilliant Blue is C37H34KN2NaO9S3.
What is the molecular weight of Brilliant Blue?
The molecular weight of Brilliant Blue is 808.10 g/mol.
Where can I buy Brilliant Blue?
You can request a quote for Brilliant Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brilliant Blue?
Yes, KEHONG BIO provides custom synthesis services for Brilliant Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.