1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine
TL;DR: 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine (CAS 400089-01-2) is a chemical compound with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethylphenyl)-4-(3-nitro-2-pyridinyl)piperazine
Also Known As: 1-(2,4-dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine, 1-(2,4-dimethylphenyl)-4-(3-nitro-2-pyridinyl)piperazine, 1-(2,4-dimethylphenyl)-4-(3-nitro-2-pyridyl)piperazine
| Molecular Formula | C17H20N4O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.93324 |
| Topological Polar Surface Area | 62.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.15863 |
| Heavy Atoms | 23 |
| Complexity | 724.2833 |
Chemical Identifiers
| CAS Number | 400089-01-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])C |
Product Overview
1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine (CAS 400089-01-2), with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol. IUPAC: 1-(2,4-dimethylphenyl)-4-(3-nitro-2-pyridinyl)piperazine.
Chemical Property Profile of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine
Property Insights of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine
The XLogP value of 2.93324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine. The TPSA of 62.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine. Following Lipinski's Rule of Five, 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine has 0 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 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine?
The CAS number of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine is 400089-01-2.
What is the molecular formula of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine?
The molecular formula of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine is C17H20N4O2.
What is the molecular weight of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine?
The molecular weight of 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine is 312.16 g/mol.
Where can I buy 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine?
You can request a quote for 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.