Bis(4-fluorophenyl)acetonitrile
TL;DR: Bis(4-fluorophenyl)acetonitrile (CAS 37742-99-7) is a chemical compound with molecular formula C14H9F2N and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(4-fluorophenyl)acetonitrile
Also Known As: bis(4-fluorophenyl)acetonitrile, 2,2-bis(4-fluorophenyl)acetonitrile, Bis-(4-fluoro-phenyl)-acetonitrile, 4-fluoro-alpha-(4-fluorophenyl)benzeneacetonitrile, J2.718.613K
| Molecular Formula | C14H9F2N |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.62028 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.07031 |
| Heavy Atoms | 17 |
| Complexity | 492.43005 |
Chemical Identifiers
| CAS Number | 37742-99-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)F |
Product Overview
Bis(4-fluorophenyl)acetonitrile (CAS 37742-99-7), with molecular formula C14H9F2N and molecular weight 229.07 g/mol. IUPAC: 2,2-bis(4-fluorophenyl)acetonitrile.
Chemical Property Profile of Bis(4-fluorophenyl)acetonitrile
Property Insights of Bis(4-fluorophenyl)acetonitrile
The XLogP value of 3.62028 indicates that Bis(4-fluorophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Bis(4-fluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(4-fluorophenyl)acetonitrile has 0 hydrogen bond donor(s) and 1 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 Bis(4-fluorophenyl)acetonitrile?
The CAS number of Bis(4-fluorophenyl)acetonitrile is 37742-99-7.
What is the molecular formula of Bis(4-fluorophenyl)acetonitrile?
The molecular formula of Bis(4-fluorophenyl)acetonitrile is C14H9F2N.
What is the molecular weight of Bis(4-fluorophenyl)acetonitrile?
The molecular weight of Bis(4-fluorophenyl)acetonitrile is 229.07 g/mol.
Where can I buy Bis(4-fluorophenyl)acetonitrile?
You can request a quote for Bis(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 Bis(4-fluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-fluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.