Pentafluoropropionic acid, hexyl ester
TL;DR: Pentafluoropropionic acid, hexyl ester (CAS 134639-01-3) is a chemical compound with molecular formula C9H13F5O2 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: Hexyl pentafluoropropanoate, Hexyl pentafluoropropionate, Pentafluoropropionic acid, hexyl ester, Hexyl 2,2,3,3,3-pentafluoropropanoate, 1-Hexanol, pentafluoropropionate
| Molecular Formula | C9H13F5O2 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.08357 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 134639-01-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | ZNCCRAMYHTXLQS-UHFFFAOYSA-N |
Product Overview
Pentafluoropropionic acid, hexyl ester (CAS 134639-01-3), with molecular formula C9H13F5O2 and molecular weight 248.08 g/mol. IUPAC: hexyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Pentafluoropropionic acid, hexyl ester
Property Insights of Pentafluoropropionic acid, hexyl ester
The XLogP value of 4.1 indicates that Pentafluoropropionic acid, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluoropropionic acid, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoropropionic acid, hexyl ester has 0 hydrogen bond donor(s) and 7 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 Pentafluoropropionic acid, hexyl ester?
The CAS number of Pentafluoropropionic acid, hexyl ester is 134639-01-3.
What is the molecular formula of Pentafluoropropionic acid, hexyl ester?
The molecular formula of Pentafluoropropionic acid, hexyl ester is C9H13F5O2.
What is the molecular weight of Pentafluoropropionic acid, hexyl ester?
The molecular weight of Pentafluoropropionic acid, hexyl ester is 248.08 g/mol.
Where can I buy Pentafluoropropionic acid, hexyl ester?
You can request a quote for Pentafluoropropionic acid, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoropropionic acid, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoropropionic acid, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.