4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone
TL;DR: 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone (CAS 586-08-3) is a chemical compound with molecular formula C11H8FNO2 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Also Known As: 4-[(4-FLUOROPHENYL)METHYLENE]-2-METHYL-5(4H)-OXAZOLONE, 2-methyl-4-(4-fluorobenzylidene)-oxazol-5-one, 4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one, 2-methyl-4-(p-fluorobenzylidene)oxazol-5-one, 4-(p-Fluorobenzylidene)-2-methyl-2-oxazolin-5-one
| Molecular Formula | C11H8FNO2 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.05391 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 586-08-3 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=C(C=C2)F)C(=O)O1 |
| InChIKey | CJDRPIOMZCOCEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone (CAS 586-08-3), with molecular formula C11H8FNO2 and molecular weight 205.05 g/mol. IUPAC: 4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone
Property Insights of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone. With a topological polar surface area (TPSA) of 38.7 Ų, 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone has 0 hydrogen bond donor(s) and 4 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-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone?
The CAS number of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone is 586-08-3.
What is the molecular formula of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone?
The molecular formula of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone is C11H8FNO2.
What is the molecular weight of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone?
The molecular weight of 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone is 205.05 g/mol.
Where can I buy 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone?
You can request a quote for 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Fluorophenyl)methylene)-2-methyl-5(4H)-oxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.