Brilliant Blue Ammonium Salt
TL;DR: Brilliant Blue Ammonium Salt (CAS 85248-89-1) is a chemical compound with molecular formula C47H48N3O7S2- and molecular weight 830.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
Also Known As: Brilliant Blue G, Brilliant Blue Ammonium Salt, 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
| Molecular Formula | C47H48N3O7S2- |
|---|---|
| Molecular Weight | 830.29 g/mol |
| LogP | 8.96362 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 830.2934 |
| Heavy Atoms | 59 |
| Complexity | 2682.7937 |
Chemical Identifiers
| CAS Number | 85248-89-1 |
|---|---|
| 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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C |
Product Overview
Brilliant Blue Ammonium Salt (CAS 85248-89-1), with molecular formula C47H48N3O7S2- and molecular weight 830.29 g/mol. IUPAC: 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate.
Chemical Property Profile of Brilliant Blue Ammonium Salt
Property Insights of Brilliant Blue Ammonium Salt
The XLogP value of 8.96362 indicates that Brilliant Blue Ammonium Salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.91 Ų indicates high polarity, suggesting Brilliant Blue Ammonium Salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brilliant Blue Ammonium Salt has 1 hydrogen bond donor(s) and 9 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 Ammonium Salt?
The CAS number of Brilliant Blue Ammonium Salt is 85248-89-1.
What is the molecular formula of Brilliant Blue Ammonium Salt?
The molecular formula of Brilliant Blue Ammonium Salt is C47H48N3O7S2-.
What is the molecular weight of Brilliant Blue Ammonium Salt?
The molecular weight of Brilliant Blue Ammonium Salt is 830.29 g/mol.
Where can I buy Brilliant Blue Ammonium Salt?
You can request a quote for Brilliant Blue Ammonium Salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brilliant Blue Ammonium Salt?
Yes, KEHONG BIO provides custom synthesis services for Brilliant Blue Ammonium Salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.