2-Pentyl hexanoate
TL;DR: 2-Pentyl hexanoate (CAS 88164-71-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl hexanoate
Also Known As: 2-Pentyl hexanoate, pentan-2-yl hexanoate, Isopentyl hexanoate, 1-Methylbutyl hexanoate, 2-Pentanyl hexanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 88164-71-0 |
|---|---|
| SMILES | CCCCCC(=O)OC(C)CCC |
| InChIKey | LDSKHRQOZJYTFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyl hexanoate (CAS 88164-71-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: pentan-2-yl hexanoate.
Chemical Property Profile of 2-Pentyl hexanoate
Property Insights of 2-Pentyl hexanoate
The XLogP value of 3.7 indicates that 2-Pentyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Pentyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl hexanoate 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 2-Pentyl hexanoate?
The CAS number of 2-Pentyl hexanoate is 88164-71-0.
What is the molecular formula of 2-Pentyl hexanoate?
The molecular formula of 2-Pentyl hexanoate is C11H22O2.
What is the molecular weight of 2-Pentyl hexanoate?
The molecular weight of 2-Pentyl hexanoate is 186.16 g/mol.
Where can I buy 2-Pentyl hexanoate?
You can request a quote for 2-Pentyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.