4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid
TL;DR: 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid (CAS 127768-49-4) is a chemical compound with molecular formula C17H11FO4 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-fluorophenyl)-4-oxochromen-8-yl]acetic acid
Also Known As: 2-[2-(3-fluorophenyl)-4-oxo-chromen-8-yl]acetic Acid, 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid, 4H-1-Benzopyran-8-acetic acid, 2-(3-fluorophenyl)-4-oxo-
| Molecular Formula | C17H11FO4 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 3.2262 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.06415 |
| Heavy Atoms | 22 |
| Complexity | 927.3354 |
Chemical Identifiers
| CAS Number | 127768-49-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O |
Product Overview
4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid (CAS 127768-49-4), with molecular formula C17H11FO4 and molecular weight 298.06 g/mol. IUPAC: 2-[2-(3-fluorophenyl)-4-oxochromen-8-yl]acetic acid.
Chemical Property Profile of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid
Property Insights of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid
The XLogP value of 3.2262 indicates that 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid. Following Lipinski's Rule of Five, 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic 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 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid?
The CAS number of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid is 127768-49-4.
What is the molecular formula of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid?
The molecular formula of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid is C17H11FO4.
What is the molecular weight of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid?
The molecular weight of 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid is 298.06 g/mol.
Where can I buy 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid?
You can request a quote for 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-2-(3-fluorophenyl)-4H-1-benzopyran-8-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.