4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid
TL;DR: 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid (CAS 20546-12-7) is a chemical compound with molecular formula C17H10F8O3 and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid
Also Known As: 4-(4-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid, 4-(4-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobe
| Molecular Formula | C17H10F8O3 |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.05023 |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 20546-12-7 |
|---|---|
| SMILES | CCCCC1=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)C(=O)O)F)F)F)F |
| InChIKey | WTKRCHRCAQWVFW-UHFFFAOYSA-N |
Product Overview
4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid (CAS 20546-12-7), with molecular formula C17H10F8O3 and molecular weight 414.05 g/mol. IUPAC: 4-(4-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid.
Chemical Property Profile of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid
Property Insights of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid
The XLogP value of 5.7 indicates that 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid?
The CAS number of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid is 20546-12-7.
What is the molecular formula of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid?
The molecular formula of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid is C17H10F8O3.
What is the molecular weight of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid?
The molecular weight of 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid is 414.05 g/mol.
Where can I buy 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid?
You can request a quote for 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.