Acid Blue 7 free acid
TL;DR: Acid Blue 7 free acid (CAS 1039452-58-8) is a chemical compound with molecular formula C37H37N2O6S2+ and molecular weight 669.2093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
Also Known As: Acid Blue 7 free acid, Benzenemethanaminium, N-(4-((2,4-disulfophenyl)(4-(ethyl(phenylmethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium, N-[4-[(2,4-Disulfophenyl)[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylbenzenemethanaminium, n-benzyl-n-{(1z,4z)-4-[{4-[benzyl(ethyl)amino]phenyl}(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}ethanaminium
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C37H37N2O6S2+ |
| Molecular Weight | 669.2093 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 669.2093 Da |
| Heavy Atoms | 47 |
| Complexity | 1310.0 |
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VUXVWHOCQSLYRN-UHFFFAOYSA-O |
Chemical Property Profile of Acid Blue 7 free acid
Property Insights of Acid Blue 7 free acid
The XLogP value of 6.1 indicates that Acid Blue 7 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acid Blue 7 free acid. Following Lipinski's Rule of Five, Acid Blue 7 free acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acid Blue 7 free acid?
The CAS number of Acid Blue 7 free acid is 1039452-58-8.
What is the molecular formula of Acid Blue 7 free acid?
The molecular formula of Acid Blue 7 free acid is C37H37N2O6S2+.
What is the molecular weight of Acid Blue 7 free acid?
The molecular weight of Acid Blue 7 free acid is 669.2093 g/mol.
Where can I buy Acid Blue 7 free acid?
You can request a quote for Acid Blue 7 free acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acid Blue 7 free acid?
Yes, CoreyChem provides custom synthesis services for Acid Blue 7 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.