Direct Brown 222
TL;DR: Direct Brown 222 (CAS 64743-15-3) is a chemical compound with molecular formula C34H28N8Na2O6S and molecular weight 722.16 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]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Direct Brown 222, C.I. Direct Brown 222, Disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate, Benzoic acid, 5-((4'-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt, Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)
| Molecular Formula | C34H28N8Na2O6S |
|---|---|
| Molecular Weight | 722.16 g/mol |
| LogP | 1.67 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 722.1648 |
| Heavy Atoms | 51 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 64743-15-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])C)C)N)N=NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XBDCAYVWYHUKGF-UHFFFAOYSA-L |
Product Overview
Direct Brown 222 (CAS 64743-15-3), with molecular formula C34H28N8Na2O6S and molecular weight 722.16 g/mol. IUPAC: disodium;5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of Direct Brown 222
Property Insights of Direct Brown 222
The XLogP value of 1.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Direct Brown 222. The TPSA of 252.0 Ų indicates high polarity, suggesting Direct Brown 222 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Brown 222 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 222?
The CAS number of Direct Brown 222 is 64743-15-3.
What is the molecular formula of Direct Brown 222?
The molecular formula of Direct Brown 222 is C34H28N8Na2O6S.
What is the molecular weight of Direct Brown 222?
The molecular weight of Direct Brown 222 is 722.16 g/mol.
Where can I buy Direct Brown 222?
You can request a quote for Direct Brown 222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Brown 222?
Yes, KEHONG BIO provides custom synthesis services for Direct Brown 222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.