Direct Brown 101
TL;DR: Direct Brown 101 (CAS 3626-30-0) is a chemical compound with molecular formula C36H22N7Na3O10S3 and molecular weight 877.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[[4-[(4-aminophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-hydroxynaphthalene-2-sulfonate
Also Known As: Direct Brown 101, Trisodium 8-((4-((4-aminophenyl)azo)-6-sulphonatonaphthyl)azo)-5-((2-hydroxy-6-sulphonatonaphthyl)azo)naphthalene-2-sulphonate, Trisodium;5-[[4-[[4-[(4-aminophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-hydroxynaphthalene-2-sulfonate, 2-Naphthalenesulfonic acid, 5-((4-((4-((4-aminophenyl)azo)-6-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-6-hydroxy-, trisodium salt, 2-Naphthalenesulfonic acid, 8-((4-((4-aminophenyl)azo)-6-sulfo-1-naphthalenyl)azo)-5-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-, trisodium salt
| Molecular Formula | C36H22N7Na3O10S3 |
|---|---|
| Molecular Weight | 877.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 877.0283 |
| Heavy Atoms | 59 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 3626-30-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=C(C=CC7=C6C=CC(=C7)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | IQFQVVOOEPYCAH-UHFFFAOYSA-K |
Product Overview
Direct Brown 101 (CAS 3626-30-0), with molecular formula C36H22N7Na3O10S3 and molecular weight 877.03 g/mol. IUPAC: trisodium;5-[[4-[[4-[(4-aminophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of Direct Brown 101
Property Insights of Direct Brown 101
The XLogP value of -0.6 indicates that Direct Brown 101 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting Direct Brown 101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Brown 101 has 2 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 Direct Brown 101?
The CAS number of Direct Brown 101 is 3626-30-0.
What is the molecular formula of Direct Brown 101?
The molecular formula of Direct Brown 101 is C36H22N7Na3O10S3.
What is the molecular weight of Direct Brown 101?
The molecular weight of Direct Brown 101 is 877.03 g/mol.
Where can I buy Direct Brown 101?
You can request a quote for Direct Brown 101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Brown 101?
Yes, KEHONG BIO provides custom synthesis services for Direct Brown 101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.