(E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile
TL;DR: (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile (CAS 183241-46-5) is a chemical compound with molecular formula C16H10FNO and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]benzonitrile
Also Known As: J2.411.301I, (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile, 4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]benzonitrile, 4-[(E)-3-Oxo-3-(4-fluorophenyl)-1-propenyl]benzonitrile, 4-[(1E)-3-(4-FLUOROPHENYL)-3-OXOPROP-1-EN-1-YL]BENZONITRILE
| Molecular Formula | C16H10FNO |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 3.59348 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07465 |
| Heavy Atoms | 19 |
| Complexity | 648.64343 |
Chemical Identifiers
| CAS Number | 183241-46-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)F)C#N |
Product Overview
(E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile (CAS 183241-46-5), with molecular formula C16H10FNO and molecular weight 251.07 g/mol. IUPAC: 4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]benzonitrile.
Chemical Property Profile of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile
Property Insights of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile
The XLogP value of 3.59348 indicates that (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile 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 (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile?
The CAS number of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile is 183241-46-5.
What is the molecular formula of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile?
The molecular formula of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile is C16H10FNO.
What is the molecular weight of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile?
The molecular weight of (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile is 251.07 g/mol.
Where can I buy (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile?
You can request a quote for (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-(4-Fluorophenyl)-3-oxoprop-1-en-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.