![2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid structure](/static/products/4201/420102-45-0.webp)
2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
TL;DR: 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid (CAS 420102-45-0) is a chemical compound with molecular formula C22H13N3O7 and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
Also Known As: BIM-0049224.P001, 2-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid, 1c-Methyl-perhydro-<3arH,6acH,9acH>-perinaphthen, 2-[4-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid, 2-{[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
| Molecular Formula | C22H13N3O7 |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 3.3459 |
| Topological Polar Surface Area | 146.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.07535 |
| Heavy Atoms | 32 |
| Complexity | 1315.3546 |
Chemical Identifiers
| CAS Number | 420102-45-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid (CAS 420102-45-0), with molecular formula C22H13N3O7 and molecular weight 431.08 g/mol. IUPAC: 2-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
Property Insights of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
The XLogP value of 3.3459 indicates that 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.92 Ų indicates high polarity, suggesting 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid has 2 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 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The CAS number of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is 420102-45-0.
What is the molecular formula of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The molecular formula of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is C22H13N3O7.
What is the molecular weight of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
The molecular weight of 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is 431.08 g/mol.
Where can I buy 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
You can request a quote for 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.