Brillant blue
TL;DR: Brillant blue (CAS 68921-42-6) is a chemical compound with molecular formula C37H36N2O9S3 and molecular weight 748.15826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Also Known As: Brillant blue, Erioglaucine disodium salt, 2-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)[(1E,4E)-4-{ethyl[(3-sulfophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1-sulfonate, 2-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate, 2-{(Z)-(4-{Ethyl[(3-sulfophenyl)methyl]amino}phenyl)[(4Z)-4-{ethyl[(3-sulfophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1-sulfonate
Technical Specifications
| Molecular Formula | C37H36N2O9S3 |
| Molecular Weight | 748.15826 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 748.15826 Da |
| Heavy Atoms | 51 |
| Complexity | 1630.0 |
| 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-] |
| InChIKey | CTRXDTYTAAKVSM-UHFFFAOYSA-N |
Chemical Property Profile of Brillant blue
Property Insights of Brillant blue
The XLogP value of 4.7 indicates that Brillant blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Brillant blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brillant blue has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Brillant blue?
The CAS number of Brillant blue is 68921-42-6.
What is the molecular formula of Brillant blue?
The molecular formula of Brillant blue is C37H36N2O9S3.
What is the molecular weight of Brillant blue?
The molecular weight of Brillant blue is 748.15826 g/mol.
Where can I buy Brillant blue?
You can request a quote for Brillant blue directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brillant blue?
Yes, CoreyChem provides custom synthesis services for Brillant blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.