Chlorodiane blue
TL;DR: Chlorodiane blue (CAS 86349-56-6) 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.
(4Z)-4-[[2-chloro-4-[3-chloro-4-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide
Also Known As: Chlorodiane blue, 2-Naphthalenecarboxamide, 4,4'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis*azo))bis(3-hydroxy-N-phenyl-, labeled with carbon-14
| Molecular Formula | C46H30Cl2N6O4 |
|---|---|
| Molecular Weight | 800.17 g/mol |
| LogP | 9.5024 |
| Topological Polar Surface Area | 141.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 800.17053 |
| Heavy Atoms | 58 |
| Complexity | 2590.0093 |
Chemical Identifiers
| CAS Number | 86349-56-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3/C(=N/NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N/N=C/6\C(=O)C(=CC7=CC=CC=C67)C(=O)NC8=CC=CC=C8)Cl)Cl)/C2=O |
Product Overview
Chlorodiane blue (CAS 86349-56-6), with molecular formula C46H30Cl2N6O4 and molecular weight 800.17 g/mol. IUPAC: (4Z)-4-[[2-chloro-4-[3-chloro-4-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide.
Chemical Property Profile of Chlorodiane blue
Property Insights of Chlorodiane blue
The XLogP value of 9.5024 indicates that Chlorodiane blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.12 Ų indicates high polarity, suggesting Chlorodiane blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorodiane 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 Chlorodiane blue?
The CAS number of Chlorodiane blue is 86349-56-6.
What is the molecular formula of Chlorodiane blue?
The molecular formula of Chlorodiane blue is C46H30Cl2N6O4.
What is the molecular weight of Chlorodiane blue?
The molecular weight of Chlorodiane blue is 800.17 g/mol.
Where can I buy Chlorodiane blue?
You can request a quote for Chlorodiane blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorodiane blue?
Yes, KEHONG BIO provides custom synthesis services for Chlorodiane blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.