Iodophenol blue
TL;DR: Iodophenol blue (CAS 4430-24-4) is a chemical compound with molecular formula C19H10I4O5S and molecular weight 857.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-hydroxy-3,5-diiodophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-diiodophenol
Also Known As: Iodophenol blue, Ligustilide, Z-ligustilide, Tetraiodophenolsulfonaphthalein, 3,5,3',5'-tetraiodophenolsulfonphthalein
| Molecular Formula | C19H10I4O5S |
|---|---|
| Molecular Weight | 857.64 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 857.6428 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 4430-24-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)I)O)I)C4=CC(=C(C(=C4)I)O)I |
| InChIKey | RXNYILISXGUYFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodophenol blue (CAS 4430-24-4), with molecular formula C19H10I4O5S and molecular weight 857.64 g/mol. IUPAC: 4-[3-(4-hydroxy-3,5-diiodophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-diiodophenol.
Chemical Property Profile of Iodophenol blue
Property Insights of Iodophenol blue
The XLogP value of 5.6 indicates that Iodophenol blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Iodophenol blue. Following Lipinski's Rule of Five, Iodophenol blue has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodophenol blue?
The CAS number of Iodophenol blue is 4430-24-4.
What is the molecular formula of Iodophenol blue?
The molecular formula of Iodophenol blue is C19H10I4O5S.
What is the molecular weight of Iodophenol blue?
The molecular weight of Iodophenol blue is 857.64 g/mol.
Where can I buy Iodophenol blue?
You can request a quote for Iodophenol blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodophenol blue?
Yes, KEHONG BIO provides custom synthesis services for Iodophenol blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.