![2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone structure](/static/products/4391/439120-78-2.webp)
2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone
TL;DR: 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone (CAS 439120-78-2) is a chemical compound with molecular formula C21H26FN3O2 and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]butan-1-one
Also Known As: Bionet1_004716, 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone, 2-ethyl-1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]butan-1-one, 2-ethyl-1-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl}butan-1-one, C21H26FN3O2
| Molecular Formula | C21H26FN3O2 |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 3.7351 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.2009 |
| Heavy Atoms | 27 |
| Complexity | 805.263 |
Chemical Identifiers
| CAS Number | 439120-78-2 |
|---|---|
| SMILES | CCC(CC)C(=O)C1=CNC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F |
Product Overview
2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone (CAS 439120-78-2), with molecular formula C21H26FN3O2 and molecular weight 371.20 g/mol. IUPAC: 2-ethyl-1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]butan-1-one.
Chemical Property Profile of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone
Property Insights of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone
The XLogP value of 3.7351 indicates that 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone has 1 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 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone?
The CAS number of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone is 439120-78-2.
What is the molecular formula of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone?
The molecular formula of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone is C21H26FN3O2.
What is the molecular weight of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone?
The molecular weight of 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone is 371.20 g/mol.
Where can I buy 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone?
You can request a quote for 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.