4-Fluorobenzylidenephthalide
TL;DR: 4-Fluorobenzylidenephthalide (CAS 105279-30-9) 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.
(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one
Also Known As: 4-Fluorobenzylidenephthalide, Olaparib Impurity 17, 3-[ methylene]phthalide, 3-((4-Fluorophenyl)methylene)phthalide, 3-[(4-fluorophenyl)methylene]phthalide
| 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 | 105279-30-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)F)/OC2=O |
| InChIKey | YUUDPCAZITYZNH-ZROIWOOFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorobenzylidenephthalide (CAS 105279-30-9), with molecular formula C15H9FO2 and molecular weight 240.06 g/mol. IUPAC: (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 4-Fluorobenzylidenephthalide
Property Insights of 4-Fluorobenzylidenephthalide
The XLogP value of 3.6 indicates that 4-Fluorobenzylidenephthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Fluorobenzylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzylidenephthalide 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 4-Fluorobenzylidenephthalide?
The CAS number of 4-Fluorobenzylidenephthalide is 105279-30-9.
What is the molecular formula of 4-Fluorobenzylidenephthalide?
The molecular formula of 4-Fluorobenzylidenephthalide is C15H9FO2.
What is the molecular weight of 4-Fluorobenzylidenephthalide?
The molecular weight of 4-Fluorobenzylidenephthalide is 240.06 g/mol.
Where can I buy 4-Fluorobenzylidenephthalide?
You can request a quote for 4-Fluorobenzylidenephthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzylidenephthalide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.