Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester
TL;DR: Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester (CAS 72828-80-9) is a chemical compound with molecular formula C13H18F8O2 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5-octafluorooctyl pentanoate
Also Known As: Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester, 2,2,3,3,4,4,5,5-octafluorooctyl pentanoate, RefChem:368161
| Molecular Formula | C13H18F8O2 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 5.0611 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.11792 |
| Heavy Atoms | 23 |
| Complexity | 395.43576 |
Chemical Identifiers
| CAS Number | 72828-80-9 |
|---|---|
| SMILES | CCCCC(=O)OCC(C(C(C(CCC)(F)F)(F)F)(F)F)(F)F |
Product Overview
Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester (CAS 72828-80-9), with molecular formula C13H18F8O2 and molecular weight 358.12 g/mol. IUPAC: 2,2,3,3,4,4,5,5-octafluorooctyl pentanoate.
Chemical Property Profile of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester
Property Insights of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester
The XLogP value of 5.0611 indicates that Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl 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, Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester 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 Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester?
The CAS number of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester is 72828-80-9.
What is the molecular formula of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester?
The molecular formula of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester is C13H18F8O2.
What is the molecular weight of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester?
The molecular weight of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester is 358.12 g/mol.
Where can I buy Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester?
You can request a quote for Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.