1-Benzofuran-4,7-dione, 5-butyl-
TL;DR: 1-Benzofuran-4,7-dione, 5-butyl- (CAS 123332-46-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-1-benzofuran-4,7-dione
Also Known As: 5-Butyl-1-benzofuran-4,7-dione, 5-butylbenzofuran-4,7-dione, 1-Benzofuran-4,7-dione, 5-butyl-, 4,7-Benzofurandione, 5-butyl-, 5-Butyl-4,7-dihydrobenzofuran-4,7-dione
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
| SMILES | CCCCC1=CC(=O)C2=C(C1=O)C=CO2 |
| InChIKey | BVHCBTOEYJWSNO-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzofuran-4,7-dione, 5-butyl-
Property Insights of 1-Benzofuran-4,7-dione, 5-butyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzofuran-4,7-dione, 5-butyl-. With a topological polar surface area (TPSA) of 47.3 Ų, 1-Benzofuran-4,7-dione, 5-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzofuran-4,7-dione, 5-butyl- 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 1-Benzofuran-4,7-dione, 5-butyl-?
The CAS number of 1-Benzofuran-4,7-dione, 5-butyl- is 123332-46-7.
What is the molecular formula of 1-Benzofuran-4,7-dione, 5-butyl-?
The molecular formula of 1-Benzofuran-4,7-dione, 5-butyl- is C12H12O3.
What is the molecular weight of 1-Benzofuran-4,7-dione, 5-butyl-?
The molecular weight of 1-Benzofuran-4,7-dione, 5-butyl- is 204.07864 g/mol.
Where can I buy 1-Benzofuran-4,7-dione, 5-butyl-?
You can request a quote for 1-Benzofuran-4,7-dione, 5-butyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzofuran-4,7-dione, 5-butyl-?
Yes, CoreyChem provides custom synthesis services for 1-Benzofuran-4,7-dione, 5-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.