![1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid structure](/static/products/7457/745725-85-3.webp)
1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid
TL;DR: 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid (CAS 745725-85-3) is a chemical compound with molecular formula C20H12F26O7S and molecular weight 889.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxo-1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)butane-2-sulfonic acid
Also Known As: 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid, 1,2-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxycarbonyl)ethanesulfonic Acid, 1,4-dioxo-1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)butane-2-sulfonic acid
| Molecular Formula | C20H12F26O7S |
|---|---|
| Molecular Weight | 889.99 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 20 |
| Exact Mass | 889.98883 |
| Heavy Atoms | 54 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 745725-85-3 |
|---|---|
| SMILES | C(COC(=O)CC(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | QWVKRJSQHBDUKF-UHFFFAOYSA-N |
Product Overview
1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid (CAS 745725-85-3), with molecular formula C20H12F26O7S and molecular weight 889.99 g/mol. IUPAC: 1,4-dioxo-1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)butane-2-sulfonic acid.
Chemical Property Profile of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid
Property Insights of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid
The XLogP value of 8.5 indicates that 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid. Following Lipinski's Rule of Five, 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid has 1 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid?
The CAS number of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid is 745725-85-3.
What is the molecular formula of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid?
The molecular formula of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid is C20H12F26O7S.
What is the molecular weight of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid?
The molecular weight of 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid is 889.99 g/mol.
Where can I buy 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid?
You can request a quote for 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxo-1,4-bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]butane-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.