![3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one structure](/static/products/796/796880-68-7.png)
3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one
TL;DR: 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one (CAS 796880-68-7) is a chemical compound with molecular formula C14H9BrN2O4 and molecular weight 347.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromo-4-nitroanilino)-3H-2-benzofuran-1-one
Also Known As: 3-(2-bromo-4-nitroanilino)-3H-2-benzofuran-1-one, 3-((2-bromo-4-nitrophenyl)amino)isobenzofuran-1(3H)-one, 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one
| Molecular Formula | C14H9BrN2O4 |
|---|---|
| Molecular Weight | 347.97 g/mol |
| LogP | 3.6384 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.97458 |
| Heavy Atoms | 21 |
| Complexity | 747.5039 |
Chemical Identifiers
| CAS Number | 796880-68-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br |
Product Overview
3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one (CAS 796880-68-7), with molecular formula C14H9BrN2O4 and molecular weight 347.97 g/mol. IUPAC: 3-(2-bromo-4-nitroanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one
Property Insights of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one
The XLogP value of 3.6384 indicates that 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-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-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-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-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one?
The CAS number of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one is 796880-68-7.
What is the molecular formula of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one is C14H9BrN2O4.
What is the molecular weight of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one is 347.97 g/mol.
Where can I buy 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(2-bromo-4-nitrophenyl)amino]-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-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-bromo-4-nitrophenyl)amino]-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.