2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid
TL;DR: 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid (CAS 2346-63-6) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid
Also Known As: Maybridge3_000712, 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid, 2,2,5,7-tetramethyl-1-oxoindane-4-carboxylic acid, 2,2,5,7-tetramethylindan-1-one-4-carboxylic acid, 2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2346-63-6 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C(C2)(C)C)C(=O)O)C |
| InChIKey | STZOOTNYAOKYQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid (CAS 2346-63-6), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid.
Chemical Property Profile of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid
Property Insights of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-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 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid?
The CAS number of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid is 2346-63-6.
What is the molecular formula of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid?
The molecular formula of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid is C14H16O3.
What is the molecular weight of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid?
The molecular weight of 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid is 232.11 g/mol.
Where can I buy 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid?
You can request a quote for 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5,7-Tetramethyl-1-oxo-2,3-dihydro-1H-indene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.