Octyl 2-furoate
TL;DR: Octyl 2-furoate (CAS 39251-88-2) 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.
octyl furan-2-carboxylate
Also Known As: Octyl 2-furoate, octyl furan-2-carboxylate, n-Octyl 2-Furancarboxylate, Octyl 2-furancarboxylate, n-Octyl 2-Furoate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 4.6 |
| 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 | 126.00 to 127.00 °C. @ 1.00 mm Hg |
| Density | 0.984-0.990 |
| Solubility | insoluble in water; miscible in fat |
| Refractive Index | 1.466-1.472 |
Chemical Identifiers
| CAS Number | 39251-88-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CO1 |
| InChIKey | WVTHGLPXSATJHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 2-furoate (CAS 39251-88-2), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: octyl furan-2-carboxylate.
Chemical Property Profile of Octyl 2-furoate
Property Insights of Octyl 2-furoate
The XLogP value of 4.6 indicates that Octyl 2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Octyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-furoate 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 Octyl 2-furoate?
The CAS number of Octyl 2-furoate is 39251-88-2.
What is the molecular formula of Octyl 2-furoate?
The molecular formula of Octyl 2-furoate is C13H20O3.
What is the molecular weight of Octyl 2-furoate?
The molecular weight of Octyl 2-furoate is 224.14 g/mol.
Where can I buy Octyl 2-furoate?
You can request a quote for Octyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.