Butyl 1,3-dioxo-2-benzofuran-5-carboxylate
TL;DR: Butyl 1,3-dioxo-2-benzofuran-5-carboxylate (CAS 1528-45-6) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 1,3-dioxo-2-benzofuran-5-carboxylate
Also Known As: butyl 1,3-dioxo-2-benzofuran-5-carboxylate, 4-Butyloxycarbonyl-1,2-benzenedicarboxylic anhydride, 4-Butyloxycarbonyl-1,2-benzenedicarboxylicanhydride, Butyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate, 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, butyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.06847 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06847 Da |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
| SMILES | CCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | WHZZRBITVLHZEV-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate
Property Insights of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 1,3-dioxo-2-benzofuran-5-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 1,3-dioxo-2-benzofuran-5-carboxylate. Following Lipinski's Rule of Five, Butyl 1,3-dioxo-2-benzofuran-5-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate?
The CAS number of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate is 1528-45-6.
What is the molecular formula of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate?
The molecular formula of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate is C13H12O5.
What is the molecular weight of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate?
The molecular weight of Butyl 1,3-dioxo-2-benzofuran-5-carboxylate is 248.06847 g/mol.
Where can I buy Butyl 1,3-dioxo-2-benzofuran-5-carboxylate?
You can request a quote for Butyl 1,3-dioxo-2-benzofuran-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 1,3-dioxo-2-benzofuran-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Butyl 1,3-dioxo-2-benzofuran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.