![3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid structure](/static/products/1533/153395-88-1.webp)
3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
TL;DR: 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid (CAS 153395-88-1) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1,3-dioxoisoindol-2-yl)methylamino]benzoic acid
Also Known As: 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid, 3-[(1,3-dioxoisoindol-2-yl)methylamino]benzoic acid, F0777-0697, 3-{[(1,3-dioxoisoindol-2-yl)methyl]amino}benzoic acid, 3-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-amino]-benzoic acid
Technical Specifications
| Molecular Formula | C16H12N2O4 |
| Molecular Weight | 296.0797 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0797 Da |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=CC(=C3)C(=O)O |
| InChIKey | DSSWCGOCELLPBS-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
Property Insights of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid?
The CAS number of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid is 153395-88-1.
What is the molecular formula of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid?
The molecular formula of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid is C16H12N2O4.
What is the molecular weight of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid?
The molecular weight of 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid is 296.0797 g/mol.
Where can I buy 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid?
You can request a quote for 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.