3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one
TL;DR: 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one (CAS 799773-41-4) is a chemical compound with molecular formula C14H9FN2O4 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one
Also Known As: 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one, 3-(4-fluoro-3-nitro-anilino)phthalide, 3-(4-Fluoro-3-nitro-phenylamino)-3H-isobenzofuran-1-one, 3-(4-Fluoro-3-nitroanilino)-2-benzofuran-1(3H)-one, 3-(4-fluoro-3-nitroanilino)-3H-isobenzofuran-1-one
| Molecular Formula | C14H9FN2O4 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 3.015 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05463 |
| Heavy Atoms | 21 |
| Complexity | 747.5039 |
Chemical Identifiers
| CAS Number | 799773-41-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one (CAS 799773-41-4), with molecular formula C14H9FN2O4 and molecular weight 288.05 g/mol. IUPAC: 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one
Property Insights of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one
The XLogP value of 3.015 indicates that 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one has 1 hydrogen bond donor(s) and 5 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-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one?
The CAS number of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one is 799773-41-4.
What is the molecular formula of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one?
The molecular formula of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one is C14H9FN2O4.
What is the molecular weight of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one?
The molecular weight of 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one is 288.05 g/mol.
Where can I buy 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one?
You can request a quote for 3-(4-fluoro-3-nitroanilino)-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 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluoro-3-nitroanilino)-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.