1-(5-Methylfuran-3-yl)butyl acetate
TL;DR: 1-(5-Methylfuran-3-yl)butyl acetate (CAS 87241-05-2) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methylfuran-3-yl)butyl acetate
Also Known As: 2-methyl-4-(1-acetoxybutyl)furan, 1-(5-methylfuran-3-yl)butyl acetate
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 87241-05-2 |
|---|---|
| SMILES | CCCC(C1=COC(=C1)C)OC(=O)C |
| InChIKey | KLVINOZPYABELA-UHFFFAOYSA-N |
Product Overview
1-(5-Methylfuran-3-yl)butyl acetate (CAS 87241-05-2), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 1-(5-methylfuran-3-yl)butyl acetate.
Chemical Property Profile of 1-(5-Methylfuran-3-yl)butyl acetate
Property Insights of 1-(5-Methylfuran-3-yl)butyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methylfuran-3-yl)butyl acetate. With a topological polar surface area (TPSA) of 39.4 Ų, 1-(5-Methylfuran-3-yl)butyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methylfuran-3-yl)butyl acetate 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 1-(5-Methylfuran-3-yl)butyl acetate?
The CAS number of 1-(5-Methylfuran-3-yl)butyl acetate is 87241-05-2.
What is the molecular formula of 1-(5-Methylfuran-3-yl)butyl acetate?
The molecular formula of 1-(5-Methylfuran-3-yl)butyl acetate is C11H16O3.
What is the molecular weight of 1-(5-Methylfuran-3-yl)butyl acetate?
The molecular weight of 1-(5-Methylfuran-3-yl)butyl acetate is 196.11 g/mol.
Where can I buy 1-(5-Methylfuran-3-yl)butyl acetate?
You can request a quote for 1-(5-Methylfuran-3-yl)butyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methylfuran-3-yl)butyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methylfuran-3-yl)butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.