Fungiqual
TL;DR: Fungiqual (CAS 12224-02-1) is a chemical compound with molecular formula C40H40N12Na2O16S4-2 and molecular weight 1118.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Fungiqual, Heliofor P, Mikephor BN, Belofor STsD, Kayaphor BSN
| Molecular Formula | C40H40N12Na2O16S4-2 |
|---|---|
| Molecular Weight | 1118.14 g/mol |
| LogP | -5.5922 |
| Topological Polar Surface Area | 441.66 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 24 |
| Exact Mass | 1118.1364 |
| Heavy Atoms | 74 |
| Complexity | 3206.8235 |
Chemical Identifiers
| CAS Number | 12224-02-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
Fungiqual (CAS 12224-02-1), with molecular formula C40H40N12Na2O16S4-2 and molecular weight 1118.14 g/mol. IUPAC: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of Fungiqual
Property Insights of Fungiqual
The XLogP value of -5.5922 indicates that Fungiqual is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.66 Ų indicates high polarity, suggesting Fungiqual may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fungiqual has 8 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fungiqual?
The CAS number of Fungiqual is 12224-02-1.
What is the molecular formula of Fungiqual?
The molecular formula of Fungiqual is C40H40N12Na2O16S4-2.
What is the molecular weight of Fungiqual?
The molecular weight of Fungiqual is 1118.14 g/mol.
Where can I buy Fungiqual?
You can request a quote for Fungiqual directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fungiqual?
Yes, KEHONG BIO provides custom synthesis services for Fungiqual and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.