Direct Brown 59
TL;DR: Direct Brown 59 (CAS 3476-90-2) is a chemical compound with molecular formula C35H25N5O7S and molecular weight 659.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[[4-[4-[(2E)-2-(7-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
Also Known As: Direct Brown 59, Direct Fast Brown B, EINECS 222-450-9, C.I. Direct Brown 59, disodium salt, Benzoic acid, 2-hydroxy-5-((4'-((1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt
| Molecular Formula | C35H25N5O7S |
|---|---|
| Molecular Weight | 659.15 g/mol |
| LogP | 5.9081 |
| Topological Polar Surface Area | 186.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 659.14746 |
| Heavy Atoms | 48 |
| Complexity | 2221.0793 |
Chemical Identifiers
| CAS Number | 3476-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC=C(C=C4)C5=CC=C(C=C5)N/N=C\6/C=CC(=O)C(=C6)C(=O)O)/C3=O)S(=O)(=O)O |
Product Overview
Direct Brown 59 (CAS 3476-90-2), with molecular formula C35H25N5O7S and molecular weight 659.15 g/mol. IUPAC: (3Z)-3-[[4-[4-[(2E)-2-(7-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid.
Chemical Property Profile of Direct Brown 59
Property Insights of Direct Brown 59
The XLogP value of 5.9081 indicates that Direct Brown 59 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.62 Ų indicates high polarity, suggesting Direct Brown 59 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Brown 59 has 5 hydrogen bond donor(s) and 10 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 59?
The CAS number of Direct Brown 59 is 3476-90-2.
What is the molecular formula of Direct Brown 59?
The molecular formula of Direct Brown 59 is C35H25N5O7S.
What is the molecular weight of Direct Brown 59?
The molecular weight of Direct Brown 59 is 659.15 g/mol.
Where can I buy Direct Brown 59?
You can request a quote for Direct Brown 59 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Brown 59?
Yes, KEHONG BIO provides custom synthesis services for Direct Brown 59 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.