![1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone structure](/static/products/7907/790717-22-5.webp)
1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone
TL;DR: 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone (CAS 790717-22-5) 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.
1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone
Also Known As: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone, 1-{3-nitro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}ethan-1-one
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.914 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 757.5631 |
Chemical Identifiers
| CAS Number | 790717-22-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-] |
Product Overview
1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone (CAS 790717-22-5), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 1-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone
Property Insights of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone
The XLogP value of 1.914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone has 0 hydrogen bond donor(s) and 7 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-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone?
The CAS number of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone is 790717-22-5.
What is the molecular formula of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone?
The molecular formula of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone is C16H17N5O3.
What is the molecular weight of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone?
The molecular weight of 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone is 327.13 g/mol.
Where can I buy 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone?
You can request a quote for 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-Nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.