6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
TL;DR: 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine (CAS 578754-07-1) is a chemical compound with molecular formula C15H17ClN6O2 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
Also Known As: 6-(4-benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine, 6-(4-benzylpiperazin-1-yl)-2-chloro-5-nitro-pyrimidin-4-amine
| Molecular Formula | C15H17ClN6O2 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 1.9426 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.11014 |
| Heavy Atoms | 24 |
| Complexity | 734.2442 |
Chemical Identifiers
| CAS Number | 578754-07-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3[N+](=O)[O-])N)Cl |
Product Overview
6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine (CAS 578754-07-1), with molecular formula C15H17ClN6O2 and molecular weight 348.11 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
Property Insights of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine
The XLogP value of 1.9426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine has 1 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 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine?
The CAS number of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine is 578754-07-1.
What is the molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine?
The molecular formula of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine is C15H17ClN6O2.
What is the molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine?
The molecular weight of 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine is 348.11 g/mol.
Where can I buy 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine?
You can request a quote for 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Benzylpiperazin-1-yl)-2-chloro-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.