C.I. Direct Brown 79
TL;DR: C.I. Direct Brown 79 (CAS 6483-77-8) is a chemical compound with molecular formula C31H21N8Na3O9S2 and molecular weight 782.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[4-[[2,4-diamino-5-[(2,4-disulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: C.I. Direct Brown 79, DIRECT BROWN 79, C.I. Direct Brown 79, trisodium salt, trisodium;5-[[4-[4-[[2,4-diamino-5-[(2,4-disulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate, Benzoic acid, 5-((4'-((2,4-diamino-5-((2,4-disulfophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, trisodium salt
| Molecular Formula | C31H21N8Na3O9S2 |
|---|---|
| Molecular Weight | 782.06 g/mol |
| LogP | -3.3465 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 782.0566 |
| Heavy Atoms | 53 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 6483-77-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | GSZCBUINRPTBEY-UHFFFAOYSA-K |
Product Overview
C.I. Direct Brown 79 (CAS 6483-77-8), with molecular formula C31H21N8Na3O9S2 and molecular weight 782.06 g/mol. IUPAC: trisodium;5-[[4-[4-[[2,4-diamino-5-[(2,4-disulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of C.I. Direct Brown 79
Property Insights of C.I. Direct Brown 79
The XLogP value of -3.3465 indicates that C.I. Direct Brown 79 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting C.I. Direct Brown 79 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 79 has 3 hydrogen bond donor(s) and 17 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 Brown 79?
The CAS number of C.I. Direct Brown 79 is 6483-77-8.
What is the molecular formula of C.I. Direct Brown 79?
The molecular formula of C.I. Direct Brown 79 is C31H21N8Na3O9S2.
What is the molecular weight of C.I. Direct Brown 79?
The molecular weight of C.I. Direct Brown 79 is 782.06 g/mol.
Where can I buy C.I. Direct Brown 79?
You can request a quote for C.I. Direct Brown 79 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 Brown 79?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 79 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.