Perfluoro-3,6,9-trioxadecanoic acid
TL;DR: Perfluoro-3,6,9-trioxadecanoic acid (CAS 151772-59-7) is a chemical compound with molecular formula C7HF13O5 and molecular weight 411.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetic acid
Also Known As: Perfluoro-3,6,9-trioxadecanoic acid, PFO3DoDA, C7HF13O5, 1-bromo-2-(bromomethyl)naphthalene, 4714AD
| Molecular Formula | C7HF13O5 |
|---|---|
| Molecular Weight | 411.96 g/mol |
| LogP | 3.6046 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.96164 |
| Heavy Atoms | 25 |
| Complexity | 497.48657 |
Chemical Identifiers
| CAS Number | 151772-59-7 |
|---|---|
| SMILES | C(=O)(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
Product Overview
Perfluoro-3,6,9-trioxadecanoic acid (CAS 151772-59-7), with molecular formula C7HF13O5 and molecular weight 411.96 g/mol. IUPAC: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetic acid.
Chemical Property Profile of Perfluoro-3,6,9-trioxadecanoic acid
Property Insights of Perfluoro-3,6,9-trioxadecanoic acid
The XLogP value of 3.6046 indicates that Perfluoro-3,6,9-trioxadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfluoro-3,6,9-trioxadecanoic acid. Following Lipinski's Rule of Five, Perfluoro-3,6,9-trioxadecanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perfluoro-3,6,9-trioxadecanoic acid?
The CAS number of Perfluoro-3,6,9-trioxadecanoic acid is 151772-59-7.
What is the molecular formula of Perfluoro-3,6,9-trioxadecanoic acid?
The molecular formula of Perfluoro-3,6,9-trioxadecanoic acid is C7HF13O5.
What is the molecular weight of Perfluoro-3,6,9-trioxadecanoic acid?
The molecular weight of Perfluoro-3,6,9-trioxadecanoic acid is 411.96 g/mol.
Where can I buy Perfluoro-3,6,9-trioxadecanoic acid?
You can request a quote for Perfluoro-3,6,9-trioxadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluoro-3,6,9-trioxadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Perfluoro-3,6,9-trioxadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.