1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid
TL;DR: 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid (CAS 372941-51-0) is a chemical compound with molecular formula C15H9FO4 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carboxylic acid
Also Known As: 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-3-OXO-5-ISOBENZOFURANCARBOXYLIC ACID, 1-(4-FLUOROPHENYL)-3-OXO-1H-2-BENZOFURAN-5-CARBOXYLIC ACID, 1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid, 1-(4-fluorophenyl)-3-oxo-1H-isobenzofuran-5-carboxylic Acid, 1-(4-Fluorophenyl)-3-oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
| Molecular Formula | C15H9FO4 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.7837 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0485 |
| Heavy Atoms | 20 |
| Complexity | 706.3135 |
Chemical Identifiers
| CAS Number | 372941-51-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(C=C(C=C3)C(=O)O)C(=O)O2)F |
Product Overview
1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid (CAS 372941-51-0), with molecular formula C15H9FO4 and molecular weight 272.05 g/mol. IUPAC: 1-(4-fluorophenyl)-3-oxo-1H-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid
Property Insights of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid
The XLogP value of 2.7837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic 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 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid?
The CAS number of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid is 372941-51-0.
What is the molecular formula of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid?
The molecular formula of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid is C15H9FO4.
What is the molecular weight of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid?
The molecular weight of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid is 272.05 g/mol.
Where can I buy 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid?
You can request a quote for 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.