4-Fluorochalcone oxide
TL;DR: 4-Fluorochalcone oxide (CAS 54243-49-1) is a chemical compound with molecular formula C15H11FO2 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanone
Also Known As: 4-Fluorochalcone oxide, 3-(4-Fluorophenyl)-2-benzoyloxirane, [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanone, [3-(4-fluorophenyl)oxiran-2-yl](phenyl)methanone, methanone,(3-(4-fluorophenyl)oxiranyl)phenyl-
| Molecular Formula | C15H11FO2 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07431 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 54243-49-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)F |
| InChIKey | JSNXRAUQMWIZHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorochalcone oxide (CAS 54243-49-1), with molecular formula C15H11FO2 and molecular weight 242.07 g/mol. IUPAC: [3-(4-fluorophenyl)oxiran-2-yl]-phenylmethanone.
Chemical Property Profile of 4-Fluorochalcone oxide
Property Insights of 4-Fluorochalcone oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorochalcone oxide. With a topological polar surface area (TPSA) of 29.6 Ų, 4-Fluorochalcone oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorochalcone oxide 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-Fluorochalcone oxide?
The CAS number of 4-Fluorochalcone oxide is 54243-49-1.
What is the molecular formula of 4-Fluorochalcone oxide?
The molecular formula of 4-Fluorochalcone oxide is C15H11FO2.
What is the molecular weight of 4-Fluorochalcone oxide?
The molecular weight of 4-Fluorochalcone oxide is 242.07 g/mol.
Where can I buy 4-Fluorochalcone oxide?
You can request a quote for 4-Fluorochalcone oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorochalcone oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorochalcone oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.