![2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid structure](/static/products/3333/333351-49-8.webp)
2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
TL;DR: 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (CAS 333351-49-8) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Also Known As: BAS 00789090, BIM-0028605.P001, F1113-0345, 2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid, 1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
| Molecular Formula | C20H13NO4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08447 |
| Heavy Atoms | 25 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 333351-49-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)O)C=CC=C4C2=O |
| InChIKey | GTVCVDZZVCAZHQ-UHFFFAOYSA-N |
Product Overview
2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid (CAS 333351-49-8), with molecular formula C20H13NO4 and molecular weight 331.08 g/mol. IUPAC: 2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid.
Chemical Property Profile of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Property Insights of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
The XLogP value of 3.6 indicates that 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-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 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The CAS number of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is 333351-49-8.
What is the molecular formula of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The molecular formula of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is C20H13NO4.
What is the molecular weight of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
The molecular weight of 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid is 331.08 g/mol.
Where can I buy 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
You can request a quote for 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic 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-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.