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 959.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C34H24N6Na4O14S4 |
|---|---|
| Molecular Weight | 959.98 g/mol |
| LogP | -6.68 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 5 |
| Exact Mass | 959.9824 |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 314-13-6 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Direct Blue 53 (CAS 314-13-6), with molecular formula C34H24N6Na4O14S4 and molecular weight 959.98 g/mol. IUPAC: 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.
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
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 959.98 g/mol.
Where can I buy C.I. Direct Blue 53?
You can request a quote for C.I. Direct Blue 53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Blue 53?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Blue 53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.