1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone
TL;DR: 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone (CAS 351983-50-1) is a chemical compound with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone
Also Known As: 2-methyl-3-acetyl-5,7-dinitro-benzofuran, 1-(2-methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone, 1-(2-methyl-5,7-dinitro-benzofuran-3-yl)ethanone
| Molecular Formula | C11H8N2O6 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 2.76022 |
| Topological Polar Surface Area | 116.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03824 |
| Heavy Atoms | 19 |
| Complexity | 730.3509 |
Chemical Identifiers
| CAS Number | 351983-50-1 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C |
Product Overview
1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone (CAS 351983-50-1), with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol. IUPAC: 1-(2-methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone.
Chemical Property Profile of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone
Property Insights of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone
The XLogP value of 2.76022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone. The TPSA of 116.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone. Following Lipinski's Rule of Five, 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone 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-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone?
The CAS number of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone is 351983-50-1.
What is the molecular formula of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone?
The molecular formula of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone is C11H8N2O6.
What is the molecular weight of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone?
The molecular weight of 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone is 264.04 g/mol.
Where can I buy 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone?
You can request a quote for 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5,7-dinitro-1-benzofuran-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.