![(2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone structure](/static/products/3328/332850-87-0.webp)
(2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone
TL;DR: (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone (CAS 332850-87-0) is a chemical compound with molecular formula C18H18FN3O3 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
Also Known As: BAS 01839816, AB00098277-01, (2-fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone, (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone, (2-FLUOROPHENYL)[4-(4-NITROBENZYL)PIPERAZINO]METHANONE
| Molecular Formula | C18H18FN3O3 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.1332 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 332850-87-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F |
| InChIKey | WDMDHGKWYRBSJV-UHFFFAOYSA-N |
Product Overview
(2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone (CAS 332850-87-0), with molecular formula C18H18FN3O3 and molecular weight 343.13 g/mol. IUPAC: (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone.
Chemical Property Profile of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone
Property Insights of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone. Following Lipinski's Rule of Five, (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone has 0 hydrogen bond donor(s) and 5 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-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone?
The CAS number of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone is 332850-87-0.
What is the molecular formula of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone?
The molecular formula of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone is C18H18FN3O3.
What is the molecular weight of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone?
The molecular weight of (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone is 343.13 g/mol.
Where can I buy (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone?
You can request a quote for (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Fluorophenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.