C.I. Direct Blue 53
TL;DR: C.I. Direct Blue 53 (CAS 314-13-6) is a chemical compound with molecular formula C34H24N6Na4O14S4 and molecular weight 959.9824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Also Known As: evans blue, Direct Blue 53, Evansblue, Evan's Blue, Azovan Blue
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C34H24N6Na4O14S4 |
| Molecular Weight | 959.9824 g/mol |
| XLogP | -6.68 |
| Topological Polar Surface Area (TPSA) | 404.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 5 |
| Exact Mass | 959.9824 Da |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
| 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.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ATNOAWAQFYGAOY-UHFFFAOYSA-J |
Product Description
Applications: C.I. Direct Blue 53 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C.I. Direct Blue 53 (CAS 314-13-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
C.I. Direct Blue 53 (CAS 314-13-6) is a heterocyclic building block with the molecular formula C34H24N6Na4O14S4 and a molecular weight of 959.98 g/mol. It is also known as evans blue and Direct Blue 53.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of C.I. Direct Blue 53
Property Insights of C.I. Direct Blue 53
The XLogP value of -6.68 indicates that C.I. Direct Blue 53 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 53 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Blue 53 has 4 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 53?
The CAS number of C.I. Direct Blue 53 is 314-13-6.
What is the molecular formula of C.I. Direct Blue 53?
The molecular formula of C.I. Direct Blue 53 is C34H24N6Na4O14S4.
What is the molecular weight of C.I. Direct Blue 53?
The molecular weight of C.I. Direct Blue 53 is 959.9824 g/mol.
What are the applications of C.I. Direct Blue 53?
C.I. Direct Blue 53 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C.I. Direct Blue 53 (CAS 314-13-6)...
Where can I buy C.I. Direct Blue 53?
You can request a quote for C.I. Direct Blue 53 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C.I. Direct Blue 53?
Yes, CoreyChem provides custom synthesis services for C.I. Direct Blue 53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.