Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
TL;DR: Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate (CAS 308295-39-8) is a chemical compound with molecular formula C19H14BrNO7 and molecular weight 447.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: BIM-0002540.P001, ETHYL 6-BROMO-2-METHYL-5-(4-NITROBENZOYLOXY)-1-BENZOFURAN-3-CARBOXYLATE, 6-bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 4-nitrobenzoate, ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate, F0821-0321
| Molecular Formula | C19H14BrNO7 |
|---|---|
| Molecular Weight | 447.00 g/mol |
| LogP | 4.80782 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.99536 |
| Heavy Atoms | 28 |
| Complexity | 1085.8503 |
Chemical Identifiers
| CAS Number | 308295-39-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)C |
Product Overview
Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate (CAS 308295-39-8), with molecular formula C19H14BrNO7 and molecular weight 447.00 g/mol. IUPAC: ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
Property Insights of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
The XLogP value of 4.80782 indicates that Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 7 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-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is 308295-39-8.
What is the molecular formula of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is C19H14BrNO7.
What is the molecular weight of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is 447.00 g/mol.
Where can I buy Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-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-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyloxy)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.