1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine
TL;DR: 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine (CAS 312697-27-1) is a chemical compound with molecular formula C17H15ClFN3O3 and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
Also Known As: BIM-0044924.P001, 1-{4-chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine, AN-465/13570139, [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone, 1-(4-chloro-2-nitrophenyl)-4-(4-fluorobenzoyl)piperazine
| Molecular Formula | C17H15ClFN3O3 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 3.3497 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.07858 |
| Heavy Atoms | 25 |
| Complexity | 805.2854 |
Chemical Identifiers
| CAS Number | 312697-27-1 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F |
Product Overview
1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine (CAS 312697-27-1), with molecular formula C17H15ClFN3O3 and molecular weight 363.08 g/mol. IUPAC: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine
Property Insights of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine
The XLogP value of 3.3497 indicates that 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine has 0 hydrogen bond donor(s) and 4 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 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine?
The CAS number of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine is 312697-27-1.
What is the molecular formula of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine?
The molecular formula of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine is C17H15ClFN3O3.
What is the molecular weight of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine?
The molecular weight of 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine is 363.08 g/mol.
Where can I buy 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine?
You can request a quote for 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-Chloro-2-nitrophenyl}-4-(4-fluorobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.