![3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one structure](/static/products/3390/339023-56-2.webp)
3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one
TL;DR: 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one (CAS 339023-56-2) is a chemical compound with molecular formula C16H11N3O6 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one
Also Known As: 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one, 3-[1-nitro-2-(4-nitroanilino)vinyl]-2-benzofuran-1(3H)-one, 3-[1-nitro-2-[(4-nitrophenyl)amino]ethenyl]-3H-isobenzofuran-1-one
| Molecular Formula | C16H11N3O6 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 3.0365 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0648 |
| Heavy Atoms | 25 |
| Complexity | 890.998 |
Chemical Identifiers
| CAS Number | 339023-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one (CAS 339023-56-2), with molecular formula C16H11N3O6 and molecular weight 341.06 g/mol. IUPAC: 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one
Property Insights of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one
The XLogP value of 3.0365 indicates that 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-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-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one?
The CAS number of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one is 339023-56-2.
What is the molecular formula of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one?
The molecular formula of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one is C16H11N3O6.
What is the molecular weight of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one?
The molecular weight of 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one is 341.06 g/mol.
Where can I buy 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one?
You can request a quote for 3-[1-nitro-2-(4-nitroanilino)ethenyl]-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-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-nitro-2-(4-nitroanilino)ethenyl]-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.