Direct Blue 81
TL;DR: Direct Blue 81 (CAS 6252-57-9) is a chemical compound with molecular formula C46H27N7Na4O14S4 and molecular weight 1121.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
Also Known As: Direct Blue 81, EINECS 228-374-2, C.I. Direct Blue 81, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, tetrasodium salt, Tetrasodium 4-hydroxy-5-((4-((4-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-6-sulphonatonaphthyl)azo)naphthyl)azo)naphthalene-2,7-disulphonate
| Molecular Formula | C46H27N7Na4O14S4 |
|---|---|
| Molecular Weight | 1121.01 g/mol |
| LogP | -3.295 |
| Topological Polar Surface Area | 351.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 1121.0089 |
| Heavy Atoms | 75 |
| Complexity | 4223.2114 |
Chemical Identifiers
| CAS Number | 6252-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=C(C7=CC=CC=C76)N=NC8=C9C(=CC(=C8)S(=O)(=O)[O-])C=C(C=C9O)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
Direct Blue 81 (CAS 6252-57-9), with molecular formula C46H27N7Na4O14S4 and molecular weight 1121.01 g/mol. IUPAC: tetrasodium;4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of Direct Blue 81
Property Insights of Direct Blue 81
The XLogP value of -3.295 indicates that Direct Blue 81 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.96 Ų indicates high polarity, suggesting Direct Blue 81 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Blue 81 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Blue 81?
The CAS number of Direct Blue 81 is 6252-57-9.
What is the molecular formula of Direct Blue 81?
The molecular formula of Direct Blue 81 is C46H27N7Na4O14S4.
What is the molecular weight of Direct Blue 81?
The molecular weight of Direct Blue 81 is 1121.01 g/mol.
Where can I buy Direct Blue 81?
You can request a quote for Direct Blue 81 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Blue 81?
Yes, KEHONG BIO provides custom synthesis services for Direct Blue 81 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.