![3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole structure](/static/products/5000/500001-75-2.webp)
3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole
TL;DR: 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole (CAS 500001-75-2) is a chemical compound with molecular formula C20H20FN3O and molecular weight 337.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone
Also Known As: BAS 01376303, 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole, (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone, 4-fluorophenyl 4-(indol-3-ylmethyl)piperazinyl ketone, (4-fluorophenyl)[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone
| Molecular Formula | C20H20FN3O |
|---|---|
| Molecular Weight | 337.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.15903 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 500001-75-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F |
| InChIKey | AANVFKQNEKJSJD-UHFFFAOYSA-N |
Product Overview
3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole (CAS 500001-75-2), with molecular formula C20H20FN3O and molecular weight 337.16 g/mol. IUPAC: (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone.
Chemical Property Profile of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole
Property Insights of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole. With a topological polar surface area (TPSA) of 39.3 Ų, 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole 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 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole?
The CAS number of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole is 500001-75-2.
What is the molecular formula of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole?
The molecular formula of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole is C20H20FN3O.
What is the molecular weight of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole?
The molecular weight of 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole is 337.16 g/mol.
Where can I buy 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole?
You can request a quote for 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(4-fluorobenzoyl)-1-piperazinyl]methyl}-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.