C.I. Direct Brown 1
TL;DR: C.I. Direct Brown 1 (CAS 3811-71-0) is a chemical compound with molecular formula C31H22N8Na2O6S and molecular weight 680.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[[4-[4-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: C.I. Direct Brown 1, Direct Brown G, Direct Brown JJ, Cupranil Brown G, Paramine Brown G
| Molecular Formula | C31H22N8Na2O6S |
|---|---|
| Molecular Weight | 680.12 g/mol |
| LogP | 0.75 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 680.11786 |
| Heavy Atoms | 48 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 3811-71-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3N)N)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)C(=O)[O-])O.[Na+].[Na+] |
| InChIKey | SKZFGYYJDVHJSA-UHFFFAOYSA-L |
Product Overview
C.I. Direct Brown 1 (CAS 3811-71-0), with molecular formula C31H22N8Na2O6S and molecular weight 680.12 g/mol. IUPAC: disodium;4-[[4-[4-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of C.I. Direct Brown 1
Property Insights of C.I. Direct Brown 1
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Brown 1. The TPSA of 252.0 Ų indicates high polarity, suggesting C.I. Direct Brown 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 1 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 C.I. Direct Brown 1?
The CAS number of C.I. Direct Brown 1 is 3811-71-0.
What is the molecular formula of C.I. Direct Brown 1?
The molecular formula of C.I. Direct Brown 1 is C31H22N8Na2O6S.
What is the molecular weight of C.I. Direct Brown 1?
The molecular weight of C.I. Direct Brown 1 is 680.12 g/mol.
Where can I buy C.I. Direct Brown 1?
You can request a quote for C.I. Direct Brown 1 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 1?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.