N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide
TL;DR: N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide (CAS 118869-52-6) is a chemical compound with molecular formula C11H10N2O7 and molecular weight 282.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide
Also Known As: NCIOpen2_003592, N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide, 4-formylamino-5,6-dimethoxy-7-nitro-3H-isobenzofuran-1-one, n-(5,6-dimethoxy-7-nitro-1-oxo-1,3-dihydro-2-benzofuran-4-yl)formamide, N-(5,6-dimethoxy-7-nitro-1-oxo-1,3-dihydroisobenzofuran-4-yl
Technical Specifications
| Molecular Formula | C11H10N2O7 |
| Molecular Weight | 282.0488 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0488 Da |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
| SMILES | COC1=C(C2=C(C(=C1OC)[N+](=O)[O-])C(=O)OC2)NC=O |
| InChIKey | XNGSDYQKXUUJAO-UHFFFAOYSA-N |
Chemical Property Profile of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide
Property Insights of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide. Following Lipinski's Rule of Five, N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide?
The CAS number of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide is 118869-52-6.
What is the molecular formula of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide?
The molecular formula of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide is C11H10N2O7.
What is the molecular weight of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide?
The molecular weight of N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide is 282.0488 g/mol.
Where can I buy N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide?
You can request a quote for N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide?
Yes, CoreyChem provides custom synthesis services for N-(5,6-dimethoxy-7-nitro-1-oxo-3H-2-benzofuran-4-yl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.