![1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- structure](/static/products/4039/40392-17-4.webp)
1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-
TL;DR: 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- (CAS 40392-17-4) is a chemical compound with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-[(4-nitrophenyl)methylidene]-2-benzofuran-1-one
Also Known As: 3-(p-Nitrobenzyliden)-6-nitrophthalid, 6-Nitro-3-(p-nitrophenylmethylene)phthalide, 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-, 6-nitro-3-[(4-nitrophenyl)methylidene]-2-benzofuran-1-one, 6-Nitro-3-[(4-nitrophenyl)methylidene]-2-benzofuran-1(3H)-one
| Molecular Formula | C15H8N2O6 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.1715 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.03824 |
| Heavy Atoms | 23 |
| Complexity | 870.0359 |
Chemical Identifiers
| CAS Number | 40392-17-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)[N+](=O)[O-] |
Product Overview
1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- (CAS 40392-17-4), with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol. IUPAC: 6-nitro-3-[(4-nitrophenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-
Property Insights of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-
The XLogP value of 3.1715 indicates that 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- has 0 hydrogen bond donor(s) and 6 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 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-?
The CAS number of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- is 40392-17-4.
What is the molecular formula of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-?
The molecular formula of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- is C15H8N2O6.
What is the molecular weight of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-?
The molecular weight of 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- is 312.04 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-?
You can request a quote for 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 6-nitro-3-[(4-nitrophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.