Butyl perfluorooctanoate
TL;DR: Butyl perfluorooctanoate (CAS 307-96-0) is a chemical compound with molecular formula C12H9F15O2 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Also Known As: n-Butyl perfluorooctanoate, Butyl perfluorooctanoate, Butyl pentadecafluorooctanoate, N-BUTYLPERFLUOROOCTANOATE, n-Butyl perfluorooctanoate, 92%
| Molecular Formula | C12H9F15O2 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 5.7038 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.03632 |
| Heavy Atoms | 29 |
| Complexity | 592.5945 |
Chemical Identifiers
| CAS Number | 307-96-0 |
|---|---|
| SMILES | CCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Butyl perfluorooctanoate (CAS 307-96-0), with molecular formula C12H9F15O2 and molecular weight 470.04 g/mol. IUPAC: butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate.
Chemical Property Profile of Butyl perfluorooctanoate
Property Insights of Butyl perfluorooctanoate
The XLogP value of 5.7038 indicates that Butyl 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, Butyl perfluorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl perfluorooctanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl perfluorooctanoate?
The CAS number of Butyl perfluorooctanoate is 307-96-0.
What is the molecular formula of Butyl perfluorooctanoate?
The molecular formula of Butyl perfluorooctanoate is C12H9F15O2.
What is the molecular weight of Butyl perfluorooctanoate?
The molecular weight of Butyl perfluorooctanoate is 470.04 g/mol.
Where can I buy Butyl perfluorooctanoate?
You can request a quote for Butyl perfluorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl perfluorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl perfluorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.