3-(4-Fluorobenzylidene)phthalide
TL;DR: 3-(4-Fluorobenzylidene)phthalide (CAS 2558-18-1) is a chemical compound with molecular formula C15H9FO2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one
Also Known As: Olaparib Impurity 61, 4-Fluorobenzylidenephthalide, 3-(4-Fluorobenzylidene)phthalide, 3-[(4-fluorophenyl)methylene]phthalide, 3-[(4-Fluorophenyl)methylene]-2-benzofuran-1(3H)-one
| Molecular Formula | C15H9FO2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.05865 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 2558-18-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)F)OC2=O |
| InChIKey | YUUDPCAZITYZNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorobenzylidene)phthalide (CAS 2558-18-1), with molecular formula C15H9FO2 and molecular weight 240.06 g/mol. IUPAC: 3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Fluorobenzylidene)phthalide
Property Insights of 3-(4-Fluorobenzylidene)phthalide
The XLogP value of 3.6 indicates that 3-(4-Fluorobenzylidene)phthalide 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-Fluorobenzylidene)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorobenzylidene)phthalide has 0 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 3-(4-Fluorobenzylidene)phthalide?
The CAS number of 3-(4-Fluorobenzylidene)phthalide is 2558-18-1.
What is the molecular formula of 3-(4-Fluorobenzylidene)phthalide?
The molecular formula of 3-(4-Fluorobenzylidene)phthalide is C15H9FO2.
What is the molecular weight of 3-(4-Fluorobenzylidene)phthalide?
The molecular weight of 3-(4-Fluorobenzylidene)phthalide is 240.06 g/mol.
Where can I buy 3-(4-Fluorobenzylidene)phthalide?
You can request a quote for 3-(4-Fluorobenzylidene)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorobenzylidene)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzylidene)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.