Hexyl 2-furoate
TL;DR: Hexyl 2-furoate (CAS 39251-86-0) 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.
hexyl furan-2-carboxylate
Also Known As: Hexyl 2-furoate, hexyl furan-2-carboxylate, Hexyl furoate, Hexyl 2-furancarboxylate, Fema 2571
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 3.5 |
| 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 |
| Boiling Point | 105.00 °C. @ 1.00 mm Hg |
| Density | 1.015-1.020 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.468-1.473 |
Chemical Identifiers
| CAS Number | 39251-86-0 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CO1 |
| InChIKey | KMLFVAGUWNPADU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl 2-furoate (CAS 39251-86-0), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: hexyl furan-2-carboxylate.
Chemical Property Profile of Hexyl 2-furoate
Property Insights of Hexyl 2-furoate
The XLogP value of 3.5 indicates that Hexyl 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, Hexyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl 2-furoate?
The CAS number of Hexyl 2-furoate is 39251-86-0.
What is the molecular formula of Hexyl 2-furoate?
The molecular formula of Hexyl 2-furoate is C11H16O3.
What is the molecular weight of Hexyl 2-furoate?
The molecular weight of Hexyl 2-furoate is 196.11 g/mol.
Where can I buy Hexyl 2-furoate?
You can request a quote for Hexyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.