4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
TL;DR: 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one (CAS 839-55-4) is a chemical compound with molecular formula C10H8INO6 and molecular weight 364.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one
Also Known As: 4-iodo-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one, 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one, 4-IODO-5,6-DIMETHOXY-7-NITRO-3H-ISOBENZOFURAN-1-ONE, 1(3H)-Isobenzofuranone,4-iodo-5,6-dimethoxy-7-nitro-
| Molecular Formula | C10H8INO6 |
|---|---|
| Molecular Weight | 364.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.93964 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 839-55-4 |
|---|---|
| SMILES | COC1=C(C2=C(COC2=O)C(=C1OC)I)[N+](=O)[O-] |
| InChIKey | XZFSDTYNGYJTMU-UHFFFAOYSA-N |
Product Overview
4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one (CAS 839-55-4), with molecular formula C10H8INO6 and molecular weight 364.94 g/mol. IUPAC: 4-iodo-5,6-dimethoxy-7-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
Property Insights of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-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 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one?
The CAS number of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one is 839-55-4.
What is the molecular formula of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one?
The molecular formula of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one is C10H8INO6.
What is the molecular weight of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one?
The molecular weight of 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one is 364.94 g/mol.
Where can I buy 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one?
You can request a quote for 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-5,6-dimethoxy-7-nitro-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.