![3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one structure](/static/products/796/796878-97-2.png)
3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
TL;DR: 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 796878-97-2) is a chemical compound with molecular formula C16H13FN2O6 and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoro-5-nitroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-(2-fluoro-5-nitroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-((2-fluoro-5-nitrophenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C16H13FN2O6 |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.0322 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.07578 |
| Heavy Atoms | 25 |
| Complexity | 869.9437 |
Chemical Identifiers
| CAS Number | 796878-97-2 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)OC |
Product Overview
3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 796878-97-2), with molecular formula C16H13FN2O6 and molecular weight 348.08 g/mol. IUPAC: 3-(2-fluoro-5-nitroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Property Insights of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
The XLogP value of 3.0322 indicates that 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one 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
Frequently Asked Questions
What is the CAS number of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The CAS number of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is 796878-97-2.
What is the molecular formula of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is C16H13FN2O6.
What is the molecular weight of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is 348.08 g/mol.
Where can I buy 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-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 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-fluoro-5-nitrophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.