![1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one structure](/static/products/5944/59445-77-1.webp)
1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one
TL;DR: 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one (CAS 59445-77-1) is a chemical compound with molecular formula C18H13NO6 and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethanone
Also Known As: 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one, 1-[7-methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethanone
| Molecular Formula | C18H13NO6 |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.07428 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 59445-77-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=CC(=C2O1)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | VAPFXZOAMWYTNN-UHFFFAOYSA-N |
Product Overview
1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one (CAS 59445-77-1), with molecular formula C18H13NO6 and molecular weight 339.07 g/mol. IUPAC: 1-[7-methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethanone.
Chemical Property Profile of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one
Property Insights of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one
The XLogP value of 3.5 indicates that 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one. Following Lipinski's Rule of Five, 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one has 0 hydrogen bond donor(s) and 6 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 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one?
The CAS number of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one is 59445-77-1.
What is the molecular formula of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one?
The molecular formula of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one is C18H13NO6.
What is the molecular weight of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one?
The molecular weight of 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one is 339.07 g/mol.
Where can I buy 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one?
You can request a quote for 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[7-Methoxy-4-(3-nitrobenzoyl)-1-benzofuran-2-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.