Furfuryl octanoate
TL;DR: Furfuryl octanoate (CAS 39252-03-4) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl octanoate
Also Known As: Furfuryl octanoate, Furfuryl caprylate, furan-2-ylmethyl octanoate, alpha-Furfuryl octanoate, 2-Furfuryl octanoate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 192.0 |
| Boiling Point | 139.00 °C. @ 10.00 mm Hg |
| Density | 0.980-0.989 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.456-1.464 |
Chemical Identifiers
| CAS Number | 39252-03-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1=CC=CO1 |
| InChIKey | JNIWCVWKECYDSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl octanoate (CAS 39252-03-4), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: furan-2-ylmethyl octanoate.
Chemical Property Profile of Furfuryl octanoate
Property Insights of Furfuryl octanoate
The XLogP value of 3.7 indicates that Furfuryl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl octanoate 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 octanoate?
The CAS number of Furfuryl octanoate is 39252-03-4.
What is the molecular formula of Furfuryl octanoate?
The molecular formula of Furfuryl octanoate is C13H20O3.
What is the molecular weight of Furfuryl octanoate?
The molecular weight of Furfuryl octanoate is 224.14 g/mol.
Where can I buy Furfuryl octanoate?
You can request a quote for Furfuryl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.