Ethyl tetrahydrofurfurylacetate
TL;DR: Ethyl tetrahydrofurfurylacetate (CAS 4616-71-1) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(oxolan-2-yl)propanoate
Also Known As: ethyl tetrahydrofurfurylacetate, ethyl 3-(oxolan-2-yl)propanoate, ethyl 3-(tetrahydrofuran-2-yl)propanoate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 4616-71-1 |
|---|---|
| SMILES | CCOC(=O)CCC1CCCO1 |
| InChIKey | BHMGDVCZGIHNQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl tetrahydrofurfurylacetate (CAS 4616-71-1), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 3-(oxolan-2-yl)propanoate.
Chemical Property Profile of Ethyl tetrahydrofurfurylacetate
Property Insights of Ethyl tetrahydrofurfurylacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl tetrahydrofurfurylacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl tetrahydrofurfurylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl tetrahydrofurfurylacetate 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 Ethyl tetrahydrofurfurylacetate?
The CAS number of Ethyl tetrahydrofurfurylacetate is 4616-71-1.
What is the molecular formula of Ethyl tetrahydrofurfurylacetate?
The molecular formula of Ethyl tetrahydrofurfurylacetate is C9H16O3.
What is the molecular weight of Ethyl tetrahydrofurfurylacetate?
The molecular weight of Ethyl tetrahydrofurfurylacetate is 172.11 g/mol.
Where can I buy Ethyl tetrahydrofurfurylacetate?
You can request a quote for Ethyl tetrahydrofurfurylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl tetrahydrofurfurylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl tetrahydrofurfurylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.