1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine
TL;DR: 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine (CAS 329939-30-2) is a chemical compound with molecular formula C17H16ClN3O3 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chlorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
Also Known As: 1-(3-chlorophenyl)-4-(3-nitrobenzoyl)piperazine, BAS 00542817, [4-(3-Chloro-phenyl)-piperazin-1-yl]-(3-nitro-phenyl)-methanone, [4-(3-chlorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone, 4-(3-chlorophenyl)piperazinyl 3-nitrophenyl ketone
| Molecular Formula | C17H16ClN3O3 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.088 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 329939-30-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RBPFPQHWRXDLGK-UHFFFAOYSA-N |
Product Overview
1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine (CAS 329939-30-2), with molecular formula C17H16ClN3O3 and molecular weight 345.09 g/mol. IUPAC: [4-(3-chlorophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine
Property Insights of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine
The XLogP value of 3.4 indicates that 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)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-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine?
The CAS number of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine is 329939-30-2.
What is the molecular formula of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine?
The molecular formula of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine is C17H16ClN3O3.
What is the molecular weight of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine?
The molecular weight of 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine is 345.09 g/mol.
Where can I buy 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine?
You can request a quote for 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-4-(3-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.