Furfuryl hexanoate
TL;DR: Furfuryl hexanoate (CAS 39589-17-8) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl hexanoate
Also Known As: Furfuryl hexanoate, furan-2-ylmethyl hexanoate, Furfuryl caproate, Furfuryl n-hexanoate, (furan-2-yl)methyl hexanoate
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 39589-17-8 |
|---|---|
| SMILES | CCCCCC(=O)OCC1=CC=CO1 |
| InChIKey | IBIDUABZZSJJNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl hexanoate (CAS 39589-17-8), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: furan-2-ylmethyl hexanoate.
Chemical Property Profile of Furfuryl hexanoate
Property Insights of Furfuryl hexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl hexanoate. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl hexanoate has 0 hydrogen bond donor(s) and 3 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 Furfuryl hexanoate?
The CAS number of Furfuryl hexanoate is 39589-17-8.
What is the molecular formula of Furfuryl hexanoate?
The molecular formula of Furfuryl hexanoate is C11H16O3.
What is the molecular weight of Furfuryl hexanoate?
The molecular weight of Furfuryl hexanoate is 196.11 g/mol.
Where can I buy Furfuryl hexanoate?
You can request a quote for Furfuryl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.