1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone
TL;DR: 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone (CAS 450345-91-2) is a chemical compound with molecular formula C16H18N6O3 and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
Also Known As: F0543-0249, 1-(4-(4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone, 1-{4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl}ethan-1-one, 1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone, 1-{4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl}ethanone
| Molecular Formula | C16H18N6O3 |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 1.4962 |
| Topological Polar Surface Area | 118.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.14404 |
| Heavy Atoms | 25 |
| Complexity | 800.0174 |
Chemical Identifiers
| CAS Number | 450345-91-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N |
Product Overview
1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone (CAS 450345-91-2), with molecular formula C16H18N6O3 and molecular weight 342.14 g/mol. IUPAC: 1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone.
Chemical Property Profile of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone
Property Insights of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone
The XLogP value of 1.4962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone. The TPSA of 118.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone has 1 hydrogen bond donor(s) and 8 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-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone?
The CAS number of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone is 450345-91-2.
What is the molecular formula of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone?
The molecular formula of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone is C16H18N6O3.
What is the molecular weight of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone?
The molecular weight of 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone is 342.14 g/mol.
Where can I buy 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone?
You can request a quote for 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-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-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(4-(6-Amino-5-nitropyrimidin-4-yl)piperazin-1-yl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.