(2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone
TL;DR: (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone (CAS 545369-75-3) is a chemical compound with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone
Also Known As: (2-chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone, (2-chloro-4-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone, (4-nitro-2-chloro-phenyl)-(4-ethylpiperazin-1-yl)methanone, 1-(2-CHLORO-4-NITROBENZOYL)-4-ETHYLPIPERAZINE, (2-chloro-4-nitro-phenyl)-(4-ethylpiperazin-1-yl)methanone
| Molecular Formula | C13H16ClN3O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 2.0259 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.088 |
| Heavy Atoms | 20 |
| Complexity | 527.5927 |
Chemical Identifiers
| CAS Number | 545369-75-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
(2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone (CAS 545369-75-3), with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol. IUPAC: (2-chloro-4-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone.
Chemical Property Profile of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone
Property Insights of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone
The XLogP value of 2.0259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)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 (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone?
The CAS number of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone is 545369-75-3.
What is the molecular formula of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone?
The molecular formula of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone is C13H16ClN3O3.
What is the molecular weight of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone?
The molecular weight of (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone is 297.09 g/mol.
Where can I buy (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone?
You can request a quote for (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-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-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-4-nitrophenyl)(4-ethylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.