![2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid structure](/static/products/1111/111148-70-0.webp)
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
TL;DR: 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid (CAS 111148-70-0) is a chemical compound with molecular formula C22H14N2O5 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
Also Known As: BIM-0031782.P001, A1947/0081804, 2-(3-(1,3-dioxoisoindolin-2-yl)benzamido)benzoic acid, 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid, 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
| Molecular Formula | C22H14N2O5 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 3.4377 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.09027 |
| Heavy Atoms | 29 |
| Complexity | 1150.08 |
Chemical Identifiers
| CAS Number | 111148-70-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(=O)O |
Product Overview
2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid (CAS 111148-70-0), with molecular formula C22H14N2O5 and molecular weight 386.09 g/mol. IUPAC: 2-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
Property Insights of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
The XLogP value of 3.4377 indicates that 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 4 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-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid?
The CAS number of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid is 111148-70-0.
What is the molecular formula of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid?
The molecular formula of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid is C22H14N2O5.
What is the molecular weight of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid?
The molecular weight of 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid is 386.09 g/mol.
Where can I buy 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid?
You can request a quote for 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-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-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.