Furfuryl pentanoate
TL;DR: Furfuryl pentanoate (CAS 36701-01-6) 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 pentanoate
Also Known As: Furfuryl pentanoate, furan-2-ylmethyl pentanoate, Furfuryl valerate, 2-Furfuryl pentanoate, alpha-Furfuryl pentanoate
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
| Boiling Point | 82.00 to 83.00 °C. @ 1.00 mm Hg |
| Density | 1.024-1.031 |
| Solubility | insoluble in water |
| Refractive Index | 1.457-1.462 |
Chemical Identifiers
| CAS Number | 36701-01-6 |
|---|---|
| SMILES | CCCCC(=O)OCC1=CC=CO1 |
| InChIKey | HRYAVTBTUKVHBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl pentanoate (CAS 36701-01-6), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: furan-2-ylmethyl pentanoate.
Chemical Property Profile of Furfuryl pentanoate
Property Insights of Furfuryl pentanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl pentanoate. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl pentanoate 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 pentanoate?
The CAS number of Furfuryl pentanoate is 36701-01-6.
What is the molecular formula of Furfuryl pentanoate?
The molecular formula of Furfuryl pentanoate is C10H14O3.
What is the molecular weight of Furfuryl pentanoate?
The molecular weight of Furfuryl pentanoate is 182.09 g/mol.
Where can I buy Furfuryl pentanoate?
You can request a quote for Furfuryl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.