Tetrahydrofurfuryl butyrate
TL;DR: Tetrahydrofurfuryl butyrate (CAS 92345-48-7) 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.
oxolan-2-ylmethyl butanoate
Also Known As: Tetrahydrofurfuryl butyrate, (Tetrahydrofuran-2-yl)methyl butyrate, oxolan-2-ylmethyl butanoate, 2-(Butyryloxymethyl)tetrahydrofuran, Tetrahydro-2-furylmethyl butanoate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.4 |
| 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 | 92345-48-7 |
|---|---|
| SMILES | CCCC(=O)OCC1CCCO1 |
| InChIKey | DPZVDLFOAZNCBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydrofurfuryl butyrate (CAS 92345-48-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: oxolan-2-ylmethyl butanoate.
Chemical Property Profile of Tetrahydrofurfuryl butyrate
Property Insights of Tetrahydrofurfuryl butyrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrofurfuryl butyrate. With a topological polar surface area (TPSA) of 35.5 Ų, Tetrahydrofurfuryl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrofurfuryl butyrate 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 Tetrahydrofurfuryl butyrate?
The CAS number of Tetrahydrofurfuryl butyrate is 92345-48-7.
What is the molecular formula of Tetrahydrofurfuryl butyrate?
The molecular formula of Tetrahydrofurfuryl butyrate is C9H16O3.
What is the molecular weight of Tetrahydrofurfuryl butyrate?
The molecular weight of Tetrahydrofurfuryl butyrate is 172.11 g/mol.
Where can I buy Tetrahydrofurfuryl butyrate?
You can request a quote for Tetrahydrofurfuryl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrofurfuryl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrofurfuryl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.