2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 110768-27-9) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(2,6-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 4-Carboxy-N-(2,6-dimethylphenyl)phthalimide, 2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid, 4-carboxylic-N-phthaloyl-2,6-dimethylaniline
Technical Specifications
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.08447 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.08447 Da |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
| SMILES | CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | QGMBPHSYAMSDPV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 110768-27-9.
What is the molecular formula of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C17H13NO4.
What is the molecular weight of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 295.08447 g/mol.
Where can I buy 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.