Chlordiane blue
TL;DR: Chlordiane blue (CAS 41709-76-6) is a chemical compound with molecular formula C46H30Cl2N6O4 and molecular weight 800.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Also Known As: Chlorodiane blue, Chlordiane blue, Chitohexaose 6HCl, 2-Naphthalenecarboxamide, 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-phenyl-, 4,4'-[ bis ]bis[3-hydroxy-N-phenylnaphthalene-2-carboxamide]
| Molecular Formula | C46H30Cl2N6O4 |
|---|---|
| Molecular Weight | 800.17 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 800.17053 |
| Heavy Atoms | 58 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 41709-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C(=CC7=CC=CC=C76)C(=O)NC8=CC=CC=C8)O)Cl)Cl |
| InChIKey | XJYCALFJFALYAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlordiane blue (CAS 41709-76-6), with molecular formula C46H30Cl2N6O4 and molecular weight 800.17 g/mol. IUPAC: 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
Chemical Property Profile of Chlordiane blue
Property Insights of Chlordiane blue
The XLogP value of 12.9 indicates that Chlordiane blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Chlordiane blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlordiane blue has 4 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 Chlordiane blue?
The CAS number of Chlordiane blue is 41709-76-6.
What is the molecular formula of Chlordiane blue?
The molecular formula of Chlordiane blue is C46H30Cl2N6O4.
What is the molecular weight of Chlordiane blue?
The molecular weight of Chlordiane blue is 800.17 g/mol.
Where can I buy Chlordiane blue?
You can request a quote for Chlordiane blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlordiane blue?
Yes, KEHONG BIO provides custom synthesis services for Chlordiane blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.