Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
TL;DR: Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate (CAS 304693-84-3) is a chemical compound with molecular formula C19H15NO7 and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: BIM-0002595.P001, 3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3-nitrobenzoate, ethyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate, ETHYL 2-METHYL-5-(3-NITROBENZOYLOXY)-1-BENZOFURAN-3-CARBOXYLATE, ethyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
| Molecular Formula | C19H15NO7 |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 4.04532 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08484 |
| Heavy Atoms | 27 |
| Complexity | 1051.3928 |
Chemical Identifiers
| CAS Number | 304693-84-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate (CAS 304693-84-3), with molecular formula C19H15NO7 and molecular weight 369.08 g/mol. IUPAC: ethyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
Property Insights of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate
The XLogP value of 4.04532 indicates that Ethyl 2-methyl-5-(3-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 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-5-(3-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 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is 304693-84-3.
What is the molecular formula of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is C19H15NO7.
What is the molecular weight of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate is 369.08 g/mol.
Where can I buy Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 2-methyl-5-(3-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 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.