2-Heptylfuran
TL;DR: 2-Heptylfuran (CAS 3777-71-7) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptylfuran
Also Known As: 2-n-Heptylfuran, 2-HEPTYLFURAN, Furan, 2-heptyl-, Furan, heptyl-, 2-heptyluran
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 101.0 |
| Boiling Point | 209.00 to 210.00 °C. @ 760.00 mm Hg |
| Density | 0.860-0.866 |
| Solubility | Insoluble in water |
| Refractive Index | 1.446-1.452 |
Chemical Identifiers
| CAS Number | 3777-71-7 |
|---|---|
| SMILES | CCCCCCCC1=CC=CO1 |
| InChIKey | BHTUFJXTYNLISA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptylfuran (CAS 3777-71-7), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-heptylfuran.
Chemical Property Profile of 2-Heptylfuran
Property Insights of 2-Heptylfuran
The XLogP value of 4.7 indicates that 2-Heptylfuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 2-Heptylfuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptylfuran has 0 hydrogen bond donor(s) and 1 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-Heptylfuran?
The CAS number of 2-Heptylfuran is 3777-71-7.
What is the molecular formula of 2-Heptylfuran?
The molecular formula of 2-Heptylfuran is C11H18O.
What is the molecular weight of 2-Heptylfuran?
The molecular weight of 2-Heptylfuran is 166.14 g/mol.
Where can I buy 2-Heptylfuran?
You can request a quote for 2-Heptylfuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptylfuran?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptylfuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.