3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one
TL;DR: 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one (CAS 22628-12-2) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-but-2-enoyl-5-hexyl-4-methoxy-5-methylfuran-2-one
Also Known As: 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one, 2(5H)-Furanone, 3-crotonoyl-5-hexyl-4-methoxy-5-methyl-, (E)-
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 22628-12-2 |
|---|---|
| SMILES | CCCCCCC1(C(=C(C(=O)O1)C(=O)C=CC)OC)C |
| InChIKey | WTFYQIBESIMHHA-UHFFFAOYSA-N |
Product Overview
3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one (CAS 22628-12-2), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 3-but-2-enoyl-5-hexyl-4-methoxy-5-methylfuran-2-one.
Chemical Property Profile of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one
Property Insights of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one
The XLogP value of 3.7 indicates that 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one has 0 hydrogen bond donor(s) and 4 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 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one?
The CAS number of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one is 22628-12-2.
What is the molecular formula of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one?
The molecular formula of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one is C16H24O4.
What is the molecular weight of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one?
The molecular weight of 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one is 280.17 g/mol.
Where can I buy 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one?
You can request a quote for 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(But-2-enoyl)-5-hexyl-4-methoxy-5-methylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.