4,4'-Difluorobenzil
TL;DR: 4,4'-Difluorobenzil (CAS 579-39-5) is a chemical compound with molecular formula C14H8F2O2 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(4-fluorophenyl)ethane-1,2-dione
Also Known As: 4,4'-Difluorobenzil, 1,2-bis(4-fluorophenyl)ethane-1,2-dione, difluorobenzil, 4,4'-Difluorodibenzoyl, 4,4'difluorobenzil
| Molecular Formula | C14H8F2O2 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04924 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 579-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F |
| InChIKey | BRKULQOUSCHDGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Difluorobenzil (CAS 579-39-5), with molecular formula C14H8F2O2 and molecular weight 246.05 g/mol. IUPAC: 1,2-bis(4-fluorophenyl)ethane-1,2-dione.
Chemical Property Profile of 4,4'-Difluorobenzil
Property Insights of 4,4'-Difluorobenzil
The XLogP value of 3.6 indicates that 4,4'-Difluorobenzil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4'-Difluorobenzil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Difluorobenzil 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'-Difluorobenzil?
The CAS number of 4,4'-Difluorobenzil is 579-39-5.
What is the molecular formula of 4,4'-Difluorobenzil?
The molecular formula of 4,4'-Difluorobenzil is C14H8F2O2.
What is the molecular weight of 4,4'-Difluorobenzil?
The molecular weight of 4,4'-Difluorobenzil is 246.05 g/mol.
Where can I buy 4,4'-Difluorobenzil?
You can request a quote for 4,4'-Difluorobenzil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Difluorobenzil?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Difluorobenzil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.