1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid
TL;DR: 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid (CAS 110784-06-0) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 1,3-dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid, 2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid, 1,3-dioxo-2-(p-tolyl)isoindoline-5-carboxylicacid, 2-(4-METHYLPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 110784-06-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | DRPUWRHXSUVQLL-UHFFFAOYSA-N |
Product Overview
1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid (CAS 110784-06-0), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid
Property Insights of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-2-(p-tolyl)isoindoline-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
Frequently Asked Questions
What is the CAS number of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid?
The CAS number of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid is 110784-06-0.
What is the molecular formula of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid?
The molecular formula of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid is C16H11NO4.
What is the molecular weight of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid?
The molecular weight of 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid is 281.07 g/mol.
Where can I buy 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid?
You can request a quote for 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-2-(p-tolyl)isoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.