4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 71494-65-0) 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.
4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 4-(4-Nitro-1,3-dioxoisoindolin-2-yl)benzoic acid, 3-nitro-N-(p-carboxyphenyl)phthalimide, 4-(3-nitrophthalimidyl)-benzoic acid, BAS 00084709
| Molecular Formula | C15H8N2O6 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 2.0936 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.03824 |
| Heavy Atoms | 23 |
| Complexity | 872.0359 |
Chemical Identifiers
| CAS Number | 71494-65-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 71494-65-0), with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol. IUPAC: 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 2.0936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid 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 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 71494-65-0.
What is the molecular formula of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is C15H8N2O6.
What is the molecular weight of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 312.04 g/mol.
Where can I buy 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.