5-Butyl-6-methyl-1-benzofuran-4,7-dione
TL;DR: 5-Butyl-6-methyl-1-benzofuran-4,7-dione (CAS 141462-53-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-6-methyl-1-benzofuran-4,7-dione
Also Known As: 5-Butyl-6-methylbenzofuran-4,7-dione, 5-butyl-6-methyl-benzofuran-4,7-dione, 5-butyl-6-methyl-4,7-dihydro-1-benzofuran-4,7-dione
Technical Specifications
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.0943 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 Da |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
| SMILES | CCCCC1=C(C(=O)C2=C(C1=O)C=CO2)C |
| InChIKey | JYOPCWHOJAFSAQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Butyl-6-methyl-1-benzofuran-4,7-dione
Property Insights of 5-Butyl-6-methyl-1-benzofuran-4,7-dione
The XLogP value of 3.1 indicates that 5-Butyl-6-methyl-1-benzofuran-4,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 5-Butyl-6-methyl-1-benzofuran-4,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-6-methyl-1-benzofuran-4,7-dione 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
What is the CAS number of 5-Butyl-6-methyl-1-benzofuran-4,7-dione?
The CAS number of 5-Butyl-6-methyl-1-benzofuran-4,7-dione is 141462-53-5.
What is the molecular formula of 5-Butyl-6-methyl-1-benzofuran-4,7-dione?
The molecular formula of 5-Butyl-6-methyl-1-benzofuran-4,7-dione is C13H14O3.
What is the molecular weight of 5-Butyl-6-methyl-1-benzofuran-4,7-dione?
The molecular weight of 5-Butyl-6-methyl-1-benzofuran-4,7-dione is 218.0943 g/mol.
Where can I buy 5-Butyl-6-methyl-1-benzofuran-4,7-dione?
You can request a quote for 5-Butyl-6-methyl-1-benzofuran-4,7-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Butyl-6-methyl-1-benzofuran-4,7-dione?
Yes, CoreyChem provides custom synthesis services for 5-Butyl-6-methyl-1-benzofuran-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.