1,8-Bis(4-fluorophenyl)octane-1,8-dione
TL;DR: 1,8-Bis(4-fluorophenyl)octane-1,8-dione (CAS 120698-44-4) is a chemical compound with molecular formula C20H20F2O2 and molecular weight 330.14313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-bis(4-fluorophenyl)octane-1,8-dione
Also Known As: 1,8-bis(4-fluorophenyl)octane-1,8-dione, 1,6-bis(4-fluorobenzoyl)hexane, AB01319968-02
Technical Specifications
| Molecular Formula | C20H20F2O2 |
| Molecular Weight | 330.14313 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.14313 Da |
| Heavy Atoms | 24 |
| Complexity | 356.0 |
| SMILES | C1=CC(=CC=C1C(=O)CCCCCCC(=O)C2=CC=C(C=C2)F)F |
| InChIKey | ADEZYBRPGBHUFM-UHFFFAOYSA-N |
Chemical Property Profile of 1,8-Bis(4-fluorophenyl)octane-1,8-dione
Property Insights of 1,8-Bis(4-fluorophenyl)octane-1,8-dione
The XLogP value of 4.9 indicates that 1,8-Bis(4-fluorophenyl)octane-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,8-Bis(4-fluorophenyl)octane-1,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Bis(4-fluorophenyl)octane-1,8-dione 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
What is the CAS number of 1,8-Bis(4-fluorophenyl)octane-1,8-dione?
The CAS number of 1,8-Bis(4-fluorophenyl)octane-1,8-dione is 120698-44-4.
What is the molecular formula of 1,8-Bis(4-fluorophenyl)octane-1,8-dione?
The molecular formula of 1,8-Bis(4-fluorophenyl)octane-1,8-dione is C20H20F2O2.
What is the molecular weight of 1,8-Bis(4-fluorophenyl)octane-1,8-dione?
The molecular weight of 1,8-Bis(4-fluorophenyl)octane-1,8-dione is 330.14313 g/mol.
Where can I buy 1,8-Bis(4-fluorophenyl)octane-1,8-dione?
You can request a quote for 1,8-Bis(4-fluorophenyl)octane-1,8-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,8-Bis(4-fluorophenyl)octane-1,8-dione?
Yes, CoreyChem provides custom synthesis services for 1,8-Bis(4-fluorophenyl)octane-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.