Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate
TL;DR: Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate (CAS 34724-46-4) is a chemical compound with molecular formula C12H9BrO5 and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-methyl-4,5-dioxo-1-benzofuran-3-carboxylate
Also Known As: Probes1_000405, Probes2_000431, ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate, AB00093768-01, 2-methyl-3-ethoxycarbonyl-4,5-dioxo-6-bromobenzofuran
| Molecular Formula | C12H9BrO5 |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 2.26592 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.96335 |
| Heavy Atoms | 18 |
| Complexity | 593.8541 |
Chemical Identifiers
| CAS Number | 34724-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=O)C(=O)C(=C2)Br)C |
Product Overview
Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate (CAS 34724-46-4), with molecular formula C12H9BrO5 and molecular weight 311.96 g/mol. IUPAC: ethyl 6-bromo-2-methyl-4,5-dioxo-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate
Property Insights of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate
The XLogP value of 2.26592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-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
Frequently Asked Questions
What is the CAS number of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate is 34724-46-4.
What is the molecular formula of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate is C12H9BrO5.
What is the molecular weight of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate is 311.96 g/mol.
Where can I buy Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-methyl-4,5-dioxo-4,5-dihydro-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.