2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
TL;DR: 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CAS 777874-00-7) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
Also Known As: 2-(2-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone, 2-(2-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one, 2-(2-nitrophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethanone, 2-(2-NITROPHENYL)-1-[4-(2-PYRIMIDINYL)PIPERAZINO]-1-ETHANONE
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.2761 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 729.50256 |
Chemical Identifiers
| CAS Number | 777874-00-7 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CAS 777874-00-7), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 2-(2-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
Property Insights of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
The XLogP value of 1.2761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 6 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-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The CAS number of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is 777874-00-7.
What is the molecular formula of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The molecular formula of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is C16H17N5O3.
What is the molecular weight of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The molecular weight of 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is 327.13 g/mol.
Where can I buy 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
You can request a quote for 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.