3-(4-Fluorophenyl)isobenzofuran-1(3H)-one
TL;DR: 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one (CAS 1580-52-5) is a chemical compound with molecular formula C14H9FO2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-3H-2-benzofuran-1-one
Also Known As: ChemDiv2_001150, 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one, 3-(4-fluorophenyl)-3H-2-benzofuran-1-one, 3-(4-fluorophenyl)-2-benzofuran-1(3H)-one, J1.944.914I
| Molecular Formula | C14H9FO2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.0855 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05865 |
| Heavy Atoms | 17 |
| Complexity | 575.031 |
Chemical Identifiers
| CAS Number | 1580-52-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)F |
Product Overview
3-(4-Fluorophenyl)isobenzofuran-1(3H)-one (CAS 1580-52-5), with molecular formula C14H9FO2 and molecular weight 228.06 g/mol. IUPAC: 3-(4-fluorophenyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one
Property Insights of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one
The XLogP value of 3.0855 indicates that 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one has 0 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-(4-Fluorophenyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one is 1580-52-5.
What is the molecular formula of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one is C14H9FO2.
What is the molecular weight of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one is 228.06 g/mol.
Where can I buy 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.