4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile
TL;DR: 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile (CAS 866008-09-5) is a chemical compound with molecular formula C15H12FNO2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile
Also Known As: 4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile, 4-(4-fluorophenyl)-2-(5-methyl-2-furyl)-4-oxobutanenitrile, 4-(4-fluorophenyl)-2-(5-methyl-2-furyl)-4-oxo-butanenitrile
| Molecular Formula | C15H12FNO2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 3.6073 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0852 |
| Heavy Atoms | 19 |
| Complexity | 622.3403 |
Chemical Identifiers
| CAS Number | 866008-09-5 |
|---|---|
| SMILES | CC1=CC=C(O1)C(CC(=O)C2=CC=C(C=C2)F)C#N |
Product Overview
4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile (CAS 866008-09-5), with molecular formula C15H12FNO2 and molecular weight 257.09 g/mol. IUPAC: 4-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile.
Chemical Property Profile of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile
Property Insights of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile
The XLogP value of 3.6073 indicates that 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile has 0 hydrogen bond donor(s) and 3 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-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile?
The CAS number of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile is 866008-09-5.
What is the molecular formula of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile?
The molecular formula of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile is C15H12FNO2.
What is the molecular weight of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile?
The molecular weight of 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile is 257.09 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile?
You can request a quote for 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-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-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2-(5-methylfuran-2-yl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.