2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate
TL;DR: 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate (CAS 302795-72-8) is a chemical compound with molecular formula C18H12N2O8 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2-methyl-4,6-dinitro-1-benzofuran-5-yl) acetate
Also Known As: AH-262/31841003, 2-methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate, 3-benzoyl-2-methyl-4,6-dinitrobenzofuran-5-yl acetate, 3-benzoyl-4,6-bisnitro-2-methyl-1-benzofuran-5-yl acetate, (3-benzoyl-2-methyl-4,6-dinitro-1-benzofuran-5-yl) acetate
| Molecular Formula | C18H12N2O8 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 3.71392 |
| Topological Polar Surface Area | 142.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.05936 |
| Heavy Atoms | 28 |
| Complexity | 1147.5972 |
Chemical Identifiers
| CAS Number | 302795-72-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])OC(=O)C)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
Product Overview
2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate (CAS 302795-72-8), with molecular formula C18H12N2O8 and molecular weight 384.06 g/mol. IUPAC: (3-benzoyl-2-methyl-4,6-dinitro-1-benzofuran-5-yl) acetate.
Chemical Property Profile of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate
Property Insights of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate
The XLogP value of 3.71392 indicates that 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.79 Ų indicates high polarity, suggesting 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate 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 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate?
The CAS number of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate is 302795-72-8.
What is the molecular formula of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate?
The molecular formula of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate is C18H12N2O8.
What is the molecular weight of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate?
The molecular weight of 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate is 384.06 g/mol.
Where can I buy 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate?
You can request a quote for 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-dinitro-3-(phenylcarbonyl)-1-benzofuran-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.