Perfluorooctanoate
TL;DR: Perfluorooctanoate (CAS 45285-51-6) is a chemical compound with molecular formula C8F15O2- and molecular weight 412.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Also Known As: perfluorooctanoate, pentadecafluorooctanoate, PFOA ion, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate, RefChem:860278
| Molecular Formula | C8F15O2- |
|---|---|
| Molecular Weight | 412.97 g/mol |
| LogP | 3.1104 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.96588 |
| Heavy Atoms | 25 |
| Complexity | 530.13965 |
Chemical Identifiers
| CAS Number | 45285-51-6 |
|---|---|
| SMILES | C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-] |
Product Overview
Perfluorooctanoate (CAS 45285-51-6), with molecular formula C8F15O2- and molecular weight 412.97 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate.
Chemical Property Profile of Perfluorooctanoate
Property Insights of Perfluorooctanoate
The XLogP value of 3.1104 indicates that Perfluorooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.13 Ų, Perfluorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluorooctanoate has 0 hydrogen bond donor(s) and 2 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 Perfluorooctanoate?
The CAS number of Perfluorooctanoate is 45285-51-6.
What is the molecular formula of Perfluorooctanoate?
The molecular formula of Perfluorooctanoate is C8F15O2-.
What is the molecular weight of Perfluorooctanoate?
The molecular weight of Perfluorooctanoate is 412.97 g/mol.
Where can I buy Perfluorooctanoate?
You can request a quote for Perfluorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Perfluorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.