Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
TL;DR: Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate (CAS 324538-85-4) is a chemical compound with molecular formula C20H14BrNO8 and molecular weight 474.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_000598, ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate, ethyl 4-bromo-2-formyl-7-methyl-5-[(2-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate, ETHYL 4-BROMO-2-FORMYL-7-METHYL-5-(2-NITROBENZOYLOXY)-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C20H14BrNO8 |
|---|---|
| Molecular Weight | 474.99 g/mol |
| LogP | 4.62032 |
| Topological Polar Surface Area | 125.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.99026 |
| Heavy Atoms | 30 |
| Complexity | 1197.2249 |
Chemical Identifiers
| CAS Number | 324538-85-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=CC=C3[N+](=O)[O-])Br)C=O |
Product Overview
Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate (CAS 324538-85-4), with molecular formula C20H14BrNO8 and molecular weight 474.99 g/mol. IUPAC: ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Property Insights of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
The XLogP value of 4.62032 indicates that Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 8 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 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate is 324538-85-4.
What is the molecular formula of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate is C20H14BrNO8.
What is the molecular weight of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate is 474.99 g/mol.
Where can I buy Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-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 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-2-formyl-7-methyl-5-(2-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.