4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone
TL;DR: 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone (CAS 347333-47-5) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methanone
Also Known As: 2-[4-(4-Nitrobenzoyl)-1-piperazinyl]ethanol #, Ethanol, 2-[4-(4-nitrobenzoyl-1-piperazinyl)-, 2-[4-(4-nitrobenzoyl)-1-piperazinyl]ethanol hydrochloride, 4-(2-hydroxyethyl)piperazinyl 4-nitrophenyl ketone, A0887/0041620
| Molecular Formula | C13H17N3O4 |
|---|---|
| Molecular Weight | 279.12 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12192 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 347333-47-5 |
|---|---|
| SMILES | C1CN(CCN1CCO)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UJNCXOXNSHNUGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone (CAS 347333-47-5), with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol. IUPAC: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone
Property Insights of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone
The XLogP value of -0.5 indicates that 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone. Following Lipinski's Rule of Five, 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone has 1 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 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone?
The CAS number of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone is 347333-47-5.
What is the molecular formula of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone?
The molecular formula of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone is C13H17N3O4.
What is the molecular weight of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone?
The molecular weight of 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone is 279.12 g/mol.
Where can I buy 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone?
You can request a quote for 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyethyl)piperazinyl 4-nitrophenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.