1-(2-Methyl-5-nitrophenyl)piperazine
TL;DR: 1-(2-Methyl-5-nitrophenyl)piperazine (CAS 57644-03-8) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5-nitrophenyl)piperazine
Also Known As: 1-(2-methyl-5-nitrophenyl)piperazine, 1-(2-methyl-5-nitro-phenyl)piperazine
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 1.31282 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 400.2162 |
Chemical Identifiers
| CAS Number | 57644-03-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2CCNCC2 |
Product Overview
1-(2-Methyl-5-nitrophenyl)piperazine (CAS 57644-03-8), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 1-(2-methyl-5-nitrophenyl)piperazine.
Chemical Property Profile of 1-(2-Methyl-5-nitrophenyl)piperazine
Property Insights of 1-(2-Methyl-5-nitrophenyl)piperazine
The XLogP value of 1.31282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-5-nitrophenyl)piperazine. With a topological polar surface area (TPSA) of 58.41 Ų, 1-(2-Methyl-5-nitrophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-5-nitrophenyl)piperazine has 1 hydrogen bond donor(s) and 4 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-Methyl-5-nitrophenyl)piperazine?
The CAS number of 1-(2-Methyl-5-nitrophenyl)piperazine is 57644-03-8.
What is the molecular formula of 1-(2-Methyl-5-nitrophenyl)piperazine?
The molecular formula of 1-(2-Methyl-5-nitrophenyl)piperazine is C11H15N3O2.
What is the molecular weight of 1-(2-Methyl-5-nitrophenyl)piperazine?
The molecular weight of 1-(2-Methyl-5-nitrophenyl)piperazine is 221.12 g/mol.
Where can I buy 1-(2-Methyl-5-nitrophenyl)piperazine?
You can request a quote for 1-(2-Methyl-5-nitrophenyl)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-Methyl-5-nitrophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5-nitrophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.