3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide
TL;DR: 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide (CAS 311777-85-2) is a chemical compound with molecular formula C21H12N4O7 and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-nitrophenyl)benzamide
Also Known As: 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide, A1453/0064164, 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-nitrophenyl)benzamide, 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-nitrophenyl)benzamide
| Molecular Formula | C21H12N4O7 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 3.5559 |
| Topological Polar Surface Area | 152.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.0706 |
| Heavy Atoms | 32 |
| Complexity | 1317.9784 |
Chemical Identifiers
| CAS Number | 311777-85-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide (CAS 311777-85-2), with molecular formula C21H12N4O7 and molecular weight 432.07 g/mol. IUPAC: 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide
Property Insights of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide
The XLogP value of 3.5559 indicates that 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.76 Ų indicates high polarity, suggesting 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide 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-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide?
The CAS number of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide is 311777-85-2.
What is the molecular formula of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide?
The molecular formula of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide is C21H12N4O7.
What is the molecular weight of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide?
The molecular weight of 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide is 432.07 g/mol.
Where can I buy 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide?
You can request a quote for 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}-N-{4-nitrophenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.