3-Oxo-1-phenyl-1-indanecarboxylic acid
TL;DR: 3-Oxo-1-phenyl-1-indanecarboxylic acid (CAS 339116-12-0) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1-phenyl-2H-indene-1-carboxylic acid
Also Known As: 3-oxo-1-phenyl-1-indanecarboxylic acid, 3-oxo-1-phenyl-2H-indene-1-carboxylic Acid, 3-oxo-1-phenyl-2,3-dihydro-1h-indene-1-carboxylic acid, 9K-038
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.6437 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 660.7041 |
Chemical Identifiers
| CAS Number | 339116-12-0 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2C1(C3=CC=CC=C3)C(=O)O |
Product Overview
3-Oxo-1-phenyl-1-indanecarboxylic acid (CAS 339116-12-0), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3-oxo-1-phenyl-2H-indene-1-carboxylic acid.
Chemical Property Profile of 3-Oxo-1-phenyl-1-indanecarboxylic acid
Property Insights of 3-Oxo-1-phenyl-1-indanecarboxylic acid
The XLogP value of 2.6437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-1-phenyl-1-indanecarboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Oxo-1-phenyl-1-indanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-1-phenyl-1-indanecarboxylic acid has 1 hydrogen bond donor(s) and 2 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 3-Oxo-1-phenyl-1-indanecarboxylic acid?
The CAS number of 3-Oxo-1-phenyl-1-indanecarboxylic acid is 339116-12-0.
What is the molecular formula of 3-Oxo-1-phenyl-1-indanecarboxylic acid?
The molecular formula of 3-Oxo-1-phenyl-1-indanecarboxylic acid is C16H12O3.
What is the molecular weight of 3-Oxo-1-phenyl-1-indanecarboxylic acid?
The molecular weight of 3-Oxo-1-phenyl-1-indanecarboxylic acid is 252.08 g/mol.
Where can I buy 3-Oxo-1-phenyl-1-indanecarboxylic acid?
You can request a quote for 3-Oxo-1-phenyl-1-indanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-1-phenyl-1-indanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-1-phenyl-1-indanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.