Methyl perfluorooctanoate
TL;DR: Methyl perfluorooctanoate (CAS 376-27-2) is a chemical compound with molecular formula C9H3F15O2 and molecular weight 427.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Also Known As: Methyl perfluorooctanoate, Methyl pentadecafluorooctanoate, methylperfluorooctanoate, Methyl perfluorocaprylate, Methylpentadecafluorooctanoate
| Molecular Formula | C9H3F15O2 |
|---|---|
| Molecular Weight | 427.99 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.98935 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 376-27-2 |
|---|---|
| SMILES | COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | XOCNYZFAMHDXJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl perfluorooctanoate (CAS 376-27-2), with molecular formula C9H3F15O2 and molecular weight 427.99 g/mol. IUPAC: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate.
Chemical Property Profile of Methyl perfluorooctanoate
Property Insights of Methyl perfluorooctanoate
The XLogP value of 5.3 indicates that Methyl 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, Methyl perfluorooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl perfluorooctanoate?
The CAS number of Methyl perfluorooctanoate is 376-27-2.
What is the molecular formula of Methyl perfluorooctanoate?
The molecular formula of Methyl perfluorooctanoate is C9H3F15O2.
What is the molecular weight of Methyl perfluorooctanoate?
The molecular weight of Methyl perfluorooctanoate is 427.99 g/mol.
Where can I buy Methyl perfluorooctanoate?
You can request a quote for Methyl perfluorooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl perfluorooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl perfluorooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.