Basic Brown 4
TL;DR: Basic Brown 4 (CAS 5421-66-9) is a chemical compound with molecular formula C21H26Cl2N8 and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride
Also Known As: Bismarck Brown R, Bismark Brown R, Basic Brown 4, Bismarck Brown, Vesuvine
| Molecular Formula | C21H26Cl2N8 |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 6.62 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.16574 |
| Heavy Atoms | 31 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 5421-66-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N.Cl.Cl |
| InChIKey | WLKAMFOFXYCYDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic Brown 4 (CAS 5421-66-9), with molecular formula C21H26Cl2N8 and molecular weight 460.17 g/mol. IUPAC: 4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine;dihydrochloride.
Chemical Property Profile of Basic Brown 4
Property Insights of Basic Brown 4
The XLogP value of 6.62 indicates that Basic Brown 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Basic Brown 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Basic Brown 4 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Basic Brown 4?
The CAS number of Basic Brown 4 is 5421-66-9.
What is the molecular formula of Basic Brown 4?
The molecular formula of Basic Brown 4 is C21H26Cl2N8.
What is the molecular weight of Basic Brown 4?
The molecular weight of Basic Brown 4 is 460.17 g/mol.
Where can I buy Basic Brown 4?
You can request a quote for Basic Brown 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Brown 4?
Yes, KEHONG BIO provides custom synthesis services for Basic Brown 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.