7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid
TL;DR: 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid (CAS 13349-21-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid
Also Known As: 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid, 5,6,7,7a-Tetrahydro-7a-methyl-5-oxo-4-indanecarboxylic acid, 7a-Methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid, 4-Indancarboxylic acid, 5,6,7,7a-tetrahydro-7a-methyl-5-oxo-, 7a-Methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboxylic acid #
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 340.0 |
| SMILES | CC12CCCC1=C(C(=O)CC2)C(=O)O |
| InChIKey | INMQROHCSVXGGA-UHFFFAOYSA-N |
Chemical Property Profile of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid
Property Insights of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7a-methyl-5-oxo-2,3,6,7-tetrahydro-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
What is the CAS number of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid?
The CAS number of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid is 13349-21-8.
What is the molecular formula of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid?
The molecular formula of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid is C11H14O3.
What is the molecular weight of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid?
The molecular weight of 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid is 194.0943 g/mol.
Where can I buy 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid?
You can request a quote for 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.