5-(4-Fluorophenyl)cyclohexane-1,3-dione
TL;DR: 5-(4-Fluorophenyl)cyclohexane-1,3-dione (CAS 58586-81-5) is a chemical compound with molecular formula C12H11FO2 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)cyclohexane-1,3-dione
Also Known As: 5-(4-fluorophenyl)cyclohexane-1,3-dione, 4-Ethoxybenzhydrazide, 5-(4-Fluorophenyl)-1,3-cyclohexanedione, Bionet2_000128, 5-(4-Fluoroophenyl)-1,3-cyclohexanedione
| Molecular Formula | C12H11FO2 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.07431 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 58586-81-5 |
|---|---|
| SMILES | C1C(CC(=O)CC1=O)C2=CC=C(C=C2)F |
| InChIKey | LBTLJACXBCUFEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Fluorophenyl)cyclohexane-1,3-dione (CAS 58586-81-5), with molecular formula C12H11FO2 and molecular weight 206.07 g/mol. IUPAC: 5-(4-fluorophenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(4-Fluorophenyl)cyclohexane-1,3-dione
Property Insights of 5-(4-Fluorophenyl)cyclohexane-1,3-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-(4-Fluorophenyl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)cyclohexane-1,3-dione 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 5-(4-Fluorophenyl)cyclohexane-1,3-dione?
The CAS number of 5-(4-Fluorophenyl)cyclohexane-1,3-dione is 58586-81-5.
What is the molecular formula of 5-(4-Fluorophenyl)cyclohexane-1,3-dione?
The molecular formula of 5-(4-Fluorophenyl)cyclohexane-1,3-dione is C12H11FO2.
What is the molecular weight of 5-(4-Fluorophenyl)cyclohexane-1,3-dione?
The molecular weight of 5-(4-Fluorophenyl)cyclohexane-1,3-dione is 206.07 g/mol.
Where can I buy 5-(4-Fluorophenyl)cyclohexane-1,3-dione?
You can request a quote for 5-(4-Fluorophenyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorophenyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.