![(2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile structure](/static/products/7434/743440-17-7.webp)
(2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile
TL;DR: (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile (CAS 743440-17-7) is a chemical compound with molecular formula C15H16ClFN2O and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile
Also Known As: (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile, 4-chloro-2-[(diethylamino)(4-fluorophenyl)methylidene]-3-oxobutanenitrile
| Molecular Formula | C15H16ClFN2O |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.21008 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0935 |
| Heavy Atoms | 20 |
| Complexity | 541.9871 |
Chemical Identifiers
| CAS Number | 743440-17-7 |
|---|---|
| SMILES | CCN(CC)/C(=C(\C#N)/C(=O)CCl)/C1=CC=C(C=C1)F |
Product Overview
(2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile (CAS 743440-17-7), with molecular formula C15H16ClFN2O and molecular weight 294.09 g/mol. IUPAC: (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile.
Chemical Property Profile of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile
Property Insights of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile
The XLogP value of 3.21008 indicates that (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-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 (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile?
The CAS number of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile is 743440-17-7.
What is the molecular formula of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile?
The molecular formula of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile is C15H16ClFN2O.
What is the molecular weight of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile?
The molecular weight of (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile is 294.09 g/mol.
Where can I buy (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile?
You can request a quote for (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-chloro-2-[diethylamino-(4-fluorophenyl)methylidene]-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.