2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
TL;DR: 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid (CAS 55916-23-9) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-1,3-dioxoindene-5-carboxylic acid
Also Known As: 1,3-Dioxo-2-(m-tolyl)indan-5-carboxylic acid, Indan-5-carboxylic acid, 1,3-dioxo-2-(m-tolyl)-, 2-(3-methylphenyl)-1,3-dioxoindene-5-carboxylic acid, 1H-Indene-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(3-methylphenyl)-, 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.85602 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 789.12714 |
Chemical Identifiers
| CAS Number | 55916-23-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid (CAS 55916-23-9), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 2-(3-methylphenyl)-1,3-dioxoindene-5-carboxylic acid.
Chemical Property Profile of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
Property Insights of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
The XLogP value of 2.85602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The CAS number of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is 55916-23-9.
What is the molecular formula of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The molecular formula of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is C17H12O4.
What is the molecular weight of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
The molecular weight of 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid is 280.07 g/mol.
Where can I buy 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
You can request a quote for 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-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 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylphenyl)-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.