4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile
TL;DR: 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile (CAS 344282-35-5) is a chemical compound with molecular formula C16H11BrFNO and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile
Also Known As: 4-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile, 4-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxo-butanenitrile, C16H11BrFNO
| Molecular Formula | C16H11BrFNO |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 4.46838 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0008 |
| Heavy Atoms | 20 |
| Complexity | 643.67224 |
Chemical Identifiers
| CAS Number | 344282-35-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Br)C#N)F |
Product Overview
4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile (CAS 344282-35-5), with molecular formula C16H11BrFNO and molecular weight 331.00 g/mol. IUPAC: 4-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile.
Chemical Property Profile of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile
Property Insights of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile
The XLogP value of 4.46838 indicates that 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile 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 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile?
The CAS number of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile is 344282-35-5.
What is the molecular formula of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile?
The molecular formula of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile is C16H11BrFNO.
What is the molecular weight of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile?
The molecular weight of 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile is 331.00 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile?
You can request a quote for 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-(4-fluorophenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.