Ethyl perfluoroheptanoate
TL;DR: Ethyl perfluoroheptanoate (CAS 41430-70-0) is a chemical compound with molecular formula C9H5F13O2 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
Also Known As: Ethyl perfluoroheptanoate, Ethyl tridecafluoroheptanoate, Ethylperfluoroheptanoate, 3-CYANOBENZYLAMINE, EINECS 255-362-4
| Molecular Formula | C9H5F13O2 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.0082 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 41430-70-0 |
|---|---|
| SMILES | CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ZESCSNXJAROIJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl perfluoroheptanoate (CAS 41430-70-0), with molecular formula C9H5F13O2 and molecular weight 392.01 g/mol. IUPAC: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate.
Chemical Property Profile of Ethyl perfluoroheptanoate
Property Insights of Ethyl perfluoroheptanoate
The XLogP value of 4.8 indicates that Ethyl perfluoroheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl perfluoroheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl perfluoroheptanoate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl perfluoroheptanoate?
The CAS number of Ethyl perfluoroheptanoate is 41430-70-0.
What is the molecular formula of Ethyl perfluoroheptanoate?
The molecular formula of Ethyl perfluoroheptanoate is C9H5F13O2.
What is the molecular weight of Ethyl perfluoroheptanoate?
The molecular weight of Ethyl perfluoroheptanoate is 392.01 g/mol.
Where can I buy Ethyl perfluoroheptanoate?
You can request a quote for Ethyl perfluoroheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl perfluoroheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl perfluoroheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.