![2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile structure](/static/products/3391/339115-52-5.webp)
2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
TL;DR: 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile (CAS 339115-52-5) is a chemical compound with molecular formula C21H13BrFNO and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
Also Known As: 2-(4-bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile, Bionet1_001654, 2-(4-Bromophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile, 9K-025, 2-(4-Bromophenyl)-2-4-(4-fluorobenzoyl)phenylacetonitrile
| Molecular Formula | C21H13BrFNO |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 5.47468 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.01645 |
| Heavy Atoms | 25 |
| Complexity | 925.6301 |
Chemical Identifiers
| CAS Number | 339115-52-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)F |
Product Overview
2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile (CAS 339115-52-5), with molecular formula C21H13BrFNO and molecular weight 393.02 g/mol. IUPAC: 2-(4-bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile.
Chemical Property Profile of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
Property Insights of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
The XLogP value of 5.47468 indicates that 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]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-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile?
The CAS number of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile is 339115-52-5.
What is the molecular formula of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile?
The molecular formula of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile is C21H13BrFNO.
What is the molecular weight of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile?
The molecular weight of 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile is 393.02 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile?
You can request a quote for 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]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-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.