Octanoic acid, pentafluorobenzyl ester
TL;DR: Octanoic acid, pentafluorobenzyl ester (CAS 21635-03-0) is a chemical compound with molecular formula C15H17F5O2 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)methyl octanoate
Also Known As: Pentafluorobenzyl n-octanoate, perfluorobenzyl octanoate, Pentafluorobenzyl caprylate, Pentafluorobenzyl octanoate, (pentafluorophenyl)methyl octanoate
| Molecular Formula | C15H17F5O2 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 4.7858 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.11487 |
| Heavy Atoms | 22 |
| Complexity | 502.14948 |
Chemical Identifiers
| CAS Number | 21635-03-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Octanoic acid, pentafluorobenzyl ester (CAS 21635-03-0), with molecular formula C15H17F5O2 and molecular weight 324.11 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)methyl octanoate.
Chemical Property Profile of Octanoic acid, pentafluorobenzyl ester
Property Insights of Octanoic acid, pentafluorobenzyl ester
The XLogP value of 4.7858 indicates that Octanoic acid, pentafluorobenzyl 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, Octanoic acid, pentafluorobenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, pentafluorobenzyl ester has 0 hydrogen bond donor(s) and 2 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 Octanoic acid, pentafluorobenzyl ester?
The CAS number of Octanoic acid, pentafluorobenzyl ester is 21635-03-0.
What is the molecular formula of Octanoic acid, pentafluorobenzyl ester?
The molecular formula of Octanoic acid, pentafluorobenzyl ester is C15H17F5O2.
What is the molecular weight of Octanoic acid, pentafluorobenzyl ester?
The molecular weight of Octanoic acid, pentafluorobenzyl ester is 324.11 g/mol.
Where can I buy Octanoic acid, pentafluorobenzyl ester?
You can request a quote for Octanoic acid, pentafluorobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, pentafluorobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, pentafluorobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.