C.I. Direct Blue 80
TL;DR: C.I. Direct Blue 80 (CAS 12222-00-3) is a chemical compound with molecular formula C32H14Cu2N4Na4O16S4 and molecular weight 1055.7471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Direct Blue 80, C.I. DIRECT BLUE 80, CI Direct Blue 80, EC 235-414-2, 1-Piperazineacetic acid, hydrochloride (1:1)
Technical Specifications
| Molecular Formula | C32H14Cu2N4Na4O16S4 |
| Molecular Weight | 1055.7471 g/mol |
| XLogP | -9.59 |
| Topological Polar Surface Area (TPSA) | 404.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 5 |
| Exact Mass | 1055.7471 Da |
| Heavy Atoms | 62 |
| Complexity | 1720.0 |
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | FTGXCLZZPPMCHU-UHFFFAOYSA-F |
Chemical Property Profile of C.I. Direct Blue 80
Property Insights of C.I. Direct Blue 80
The XLogP value of -9.59 indicates that C.I. Direct Blue 80 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting C.I. Direct Blue 80 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Blue 80 has 0 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 C.I. Direct Blue 80?
The CAS number of C.I. Direct Blue 80 is 12222-00-3.
What is the molecular formula of C.I. Direct Blue 80?
The molecular formula of C.I. Direct Blue 80 is C32H14Cu2N4Na4O16S4.
What is the molecular weight of C.I. Direct Blue 80?
The molecular weight of C.I. Direct Blue 80 is 1055.7471 g/mol.
Where can I buy C.I. Direct Blue 80?
You can request a quote for C.I. Direct Blue 80 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C.I. Direct Blue 80?
Yes, CoreyChem provides custom synthesis services for C.I. Direct Blue 80 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.