evans blue
TL;DR: evans blue (CAS 6968-33-8) is a chemical compound with molecular formula C34H28N6O14S4 and molecular weight 872.0546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
Also Known As: evans blue, Evans blue free acid, Azovan Blue, Diazobleu, Evablin
Technical Specifications
| Molecular Formula | C34H28N6O14S4 |
| Molecular Weight | 872.0546 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 393.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 872.0546 Da |
| Heavy Atoms | 58 |
| Complexity | 1840.0 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | COXVTLYNGOIATD-UHFFFAOYSA-N |
Chemical Property Profile of evans blue
Property Insights of evans blue
The XLogP value of 4.4 indicates that evans blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 393.0 Ų indicates high polarity, suggesting evans blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, evans blue has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of evans blue?
The CAS number of evans blue is 6968-33-8.
What is the molecular formula of evans blue?
The molecular formula of evans blue is C34H28N6O14S4.
What is the molecular weight of evans blue?
The molecular weight of evans blue is 872.0546 g/mol.
Where can I buy evans blue?
You can request a quote for evans blue directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for evans blue?
Yes, CoreyChem provides custom synthesis services for evans blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.