7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
TL;DR: 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid (CAS 113565-94-9) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-oxo-1,2-dihydroindene-1-carboxylic acid
Also Known As: 7-methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid, 3-Carboxy-4-methyl-hydrindon, 4-methyl-1-indanone-3-carboxylic acid, 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylic acid, 7-methyl-3-oxo-indane-1-carboxylic acid
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 113565-94-9 |
|---|---|
| SMILES | CC1=C2C(CC(=O)C2=CC=C1)C(=O)O |
| InChIKey | DNUXLYCNEUZECP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid (CAS 113565-94-9), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylic acid.
Chemical Property Profile of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
Property Insights of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-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 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid?
The CAS number of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid is 113565-94-9.
What is the molecular formula of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid?
The molecular formula of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid is C11H10O3.
What is the molecular weight of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid?
The molecular weight of 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid is 190.06 g/mol.
Where can I buy 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid?
You can request a quote for 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.