Furfuryl butyrate
TL;DR: Furfuryl butyrate (CAS 623-21-2) 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 butanoate
Also Known As: FURFURYL BUTYRATE, Furfuryl butanoate, Furfuryl n-butyrate, 2-Furfuryl butyrate, Butyric acid, furfuryl ester
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| Boiling Point | 129.00 to 130.00 °C. @ 52.00 mm Hg |
| Density | 1.051-1.057 |
| Solubility | insoluble in water |
| Refractive Index | 1.457-1.462 |
Chemical Identifiers
| CAS Number | 623-21-2 |
|---|---|
| SMILES | CCCC(=O)OCC1=CC=CO1 |
| InChIKey | IXISGRHWGVGCAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furfuryl butyrate (CAS 623-21-2), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: furan-2-ylmethyl butanoate.
Chemical Property Profile of Furfuryl butyrate
Property Insights of Furfuryl butyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furfuryl butyrate. With a topological polar surface area (TPSA) of 39.4 Ų, Furfuryl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furfuryl 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 Furfuryl butyrate?
The CAS number of Furfuryl butyrate is 623-21-2.
What is the molecular formula of Furfuryl butyrate?
The molecular formula of Furfuryl butyrate is C9H12O3.
What is the molecular weight of Furfuryl butyrate?
The molecular weight of Furfuryl butyrate is 168.08 g/mol.
Where can I buy Furfuryl butyrate?
You can request a quote for Furfuryl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furfuryl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Furfuryl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.