Furfuryl isovalerate
TL;DR: Furfuryl isovalerate (CAS 13678-60-9) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan-2-ylmethyl 3-methylbutanoate
Also Known As: Furfuryl isovalerate, Furfuryl 3-methylbutanoate, furan-2-ylmethyl 3-methylbutanoate, 2-Furanylmethyl isovalerate, Isovaleric acid, furfuryl ester
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
| Boiling Point | 97.00 to 98.00 °C. @ 11.00 mm Hg |
| Density | 1.014-1.023 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.456-1.464 |
Chemical Identifiers
| CAS Number | 13678-60-9 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CC=CO1 |
| InChIKey | FKGUIBCHHSHJNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl isovalerate (CAS 13678-60-9), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: furan-2-ylmethyl 3-methylbutanoate.
Chemical Property Profile of Furfuryl isovalerate
Property Insights of Furfuryl isovalerate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl isovalerate. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl isovalerate 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 isovalerate?
The CAS number of Furfuryl isovalerate is 13678-60-9.
What is the molecular formula of Furfuryl isovalerate?
The molecular formula of Furfuryl isovalerate is C10H14O3.
What is the molecular weight of Furfuryl isovalerate?
The molecular weight of Furfuryl isovalerate is 182.09 g/mol.
Where can I buy Furfuryl isovalerate?
You can request a quote for Furfuryl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.