Furfuryl isobutyrate
TL;DR: Furfuryl isobutyrate (CAS 6270-55-9) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl 2-methylpropanoate
Also Known As: Furfuryl isobutyrate, Furfuryl 2-methylpropionate, isobutyric acid furfuryl ester, furan-2-ylmethyl 2-methylpropanoate, Furfuryl alcohol, isobutyrate
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 6270-55-9 |
|---|---|
| SMILES | CC(C)C(=O)OCC1=CC=CO1 |
| InChIKey | SZWUNATWHPNXKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl isobutyrate (CAS 6270-55-9), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: furan-2-ylmethyl 2-methylpropanoate.
Chemical Property Profile of Furfuryl isobutyrate
Property Insights of Furfuryl isobutyrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl isobutyrate. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl isobutyrate 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 isobutyrate?
The CAS number of Furfuryl isobutyrate is 6270-55-9.
What is the molecular formula of Furfuryl isobutyrate?
The molecular formula of Furfuryl isobutyrate is C9H12O3.
What is the molecular weight of Furfuryl isobutyrate?
The molecular weight of Furfuryl isobutyrate is 168.08 g/mol.
Where can I buy Furfuryl isobutyrate?
You can request a quote for Furfuryl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.