4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one
TL;DR: 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one (CAS 960-52-1) is a chemical compound with molecular formula C11H11NO7 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one
Also Known As: 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one, 4,5,6-trimethoxy-7-nitro-phthalide, 1(3H)-Isobenzofuranone, 4,5,6-trimethoxy-7-nitro-, 4,5,6-trimethoxy-7-nitro-2-benzofuran-1(3H)-one, AF-399/36428048
| Molecular Formula | C11H11NO7 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05356 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 960-52-1 |
|---|---|
| SMILES | COC1=C(C(=C(C2=C1COC2=O)[N+](=O)[O-])OC)OC |
| InChIKey | JMAOAQFSDJMMJP-UHFFFAOYSA-N |
Product Overview
4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one (CAS 960-52-1), with molecular formula C11H11NO7 and molecular weight 269.05 g/mol. IUPAC: 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one
Property Insights of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one 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 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one?
The CAS number of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one is 960-52-1.
What is the molecular formula of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one?
The molecular formula of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one is C11H11NO7.
What is the molecular weight of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one?
The molecular weight of 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one is 269.05 g/mol.
Where can I buy 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one?
You can request a quote for 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-trimethoxy-7-nitro-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.