Direct Brown 1A
TL;DR: Direct Brown 1A (CAS 2586-58-5) is a chemical compound with molecular formula C32H24N8Na2O6S and molecular weight 694.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Direct Brown 1A, Direct Brown 5C, Direct Brown 5G, Direct Brown CGN, Diphenyl Brown PT
| Molecular Formula | C32H24N8Na2O6S |
|---|---|
| Molecular Weight | 694.13 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 694.1335 |
| Heavy Atoms | 49 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 2586-58-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])N)N=NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | LQLLXIYULIMXDU-UHFFFAOYSA-L |
Product Overview
Direct Brown 1A (CAS 2586-58-5), with molecular formula C32H24N8Na2O6S and molecular weight 694.13 g/mol. IUPAC: disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of Direct Brown 1A
Property Insights of Direct Brown 1A
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct Brown 1A. The TPSA of 252.0 Ų indicates high polarity, suggesting Direct Brown 1A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Brown 1A has 3 hydrogen bond donor(s) and 14 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 1A?
The CAS number of Direct Brown 1A is 2586-58-5.
What is the molecular formula of Direct Brown 1A?
The molecular formula of Direct Brown 1A is C32H24N8Na2O6S.
What is the molecular weight of Direct Brown 1A?
The molecular weight of Direct Brown 1A is 694.13 g/mol.
Where can I buy Direct Brown 1A?
You can request a quote for Direct Brown 1A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Brown 1A?
Yes, KEHONG BIO provides custom synthesis services for Direct Brown 1A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.