2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-
TL;DR: 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- (CAS 54852-79-8) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexyl-5-methyloxolane-2,4-dione
Also Known As: 5-hexyl-5-methyloxolane-2,4-dione, 2,4 -Furandione,5-hexyl-5-methyl-, 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-, 5-Hexyl-5-methyl-2,4(3H,5H)-furandione, 5-Hexyl-5-methylfuran-2,4(3H,5H)-dione
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 54852-79-8 |
|---|---|
| SMILES | CCCCCCC1(C(=O)CC(=O)O1)C |
| InChIKey | XGEIDSFFGCIZFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- (CAS 54852-79-8), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: 5-hexyl-5-methyloxolane-2,4-dione.
Chemical Property Profile of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-
Property Insights of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-
The XLogP value of 3.0 indicates that 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- 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 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-?
The CAS number of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- is 54852-79-8.
What is the molecular formula of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-?
The molecular formula of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- is C11H18O3.
What is the molecular weight of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-?
The molecular weight of 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- is 198.13 g/mol.
Where can I buy 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-?
You can request a quote for 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(3H,5H)-Furandione, 5-hexyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.