(4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone (CAS 314055-71-5) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(4-chloro-3-nitrophenyl)methanone
Also Known As: BAS 00541483, (4-benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone, 4-chloro-3-nitrophenyl 4-benzylpiperazinyl ketone, (4-benzylpiperazin-1-yl)-(4-chloro-3-nitrophenyl)methanone, (4-Benzyl-piperazin-1-yl)-(4-chloro-3-nitro-phenyl)-methanone
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.2062 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 774.3907 |
Chemical Identifiers
| CAS Number | 314055-71-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
(4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone (CAS 314055-71-5), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(4-chloro-3-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone
The XLogP value of 3.2062 indicates that (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone 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 (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone 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 (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone is 314055-71-5.
What is the molecular formula of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone is C18H18ClN3O3.
What is the molecular weight of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone is 359.10 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)(4-chloro-3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.