Phenyl perfluorooctanoate
TL;DR: Phenyl perfluorooctanoate (CAS 289895-94-9) is a chemical compound with molecular formula C14H5F15O2 and molecular weight 490.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Also Known As: phenyl perfluorooctanoate, Perfluorooctanoic acid, phenyl ester, Pentadecafluorooctanoic acid phenyl ester, J1.021.453J, Phenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
| Molecular Formula | C14H5F15O2 |
|---|---|
| Molecular Weight | 490.00 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.005 |
| Heavy Atoms | 31 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 289895-94-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ILIMPYDCHUVMPM-UHFFFAOYSA-N |
Product Overview
Phenyl perfluorooctanoate (CAS 289895-94-9), with molecular formula C14H5F15O2 and molecular weight 490.00 g/mol. IUPAC: phenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate.
Chemical Property Profile of Phenyl perfluorooctanoate
Property Insights of Phenyl perfluorooctanoate
The XLogP value of 6.8 indicates that Phenyl perfluorooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl perfluorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl perfluorooctanoate has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl perfluorooctanoate?
The CAS number of Phenyl perfluorooctanoate is 289895-94-9.
What is the molecular formula of Phenyl perfluorooctanoate?
The molecular formula of Phenyl perfluorooctanoate is C14H5F15O2.
What is the molecular weight of Phenyl perfluorooctanoate?
The molecular weight of Phenyl perfluorooctanoate is 490.00 g/mol.
Where can I buy Phenyl perfluorooctanoate?
You can request a quote for Phenyl perfluorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl perfluorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl perfluorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.