![2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile structure](/static/products/3391/339115-12-7.webp)
2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
TL;DR: 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile (CAS 339115-12-7) is a chemical compound with molecular formula C21H13F2NO and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
Also Known As: 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile, EthylL-octahydroindole-2-carboxylatehydrochloride, [4-(4-Fluorobenzoyl)phenyl](4-fluorophenyl)acetonitrile, 2-(4-(4-fluorobenzoyl)phenyl)-2-(4-fluorophenyl)acetonitrile, 2-4-(4-Fluorobenzoyl)phenyl-2-(4-fluorophenyl)acetonitrile
| Molecular Formula | C21H13F2NO |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.85128 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.09653 |
| Heavy Atoms | 25 |
| Complexity | 923.6301 |
Chemical Identifiers
| CAS Number | 339115-12-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F |
Product Overview
2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile (CAS 339115-12-7), with molecular formula C21H13F2NO and molecular weight 333.10 g/mol. IUPAC: 2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile.
Chemical Property Profile of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
Property Insights of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
The XLogP value of 4.85128 indicates that 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile has 0 hydrogen bond donor(s) and 2 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 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile?
The CAS number of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile is 339115-12-7.
What is the molecular formula of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile?
The molecular formula of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile is C21H13F2NO.
What is the molecular weight of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile?
The molecular weight of 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile is 333.10 g/mol.
Where can I buy 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile?
You can request a quote for 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.