2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline
TL;DR: 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline (CAS 347355-95-7) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline
Also Known As: 2-methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline, [2-methyl-5-(4-methylpiperazin-1-yl)-4-nitrophenyl]amine, 1-{5-amino-2-nitro-4-methylphenyl}-4-methylpiperazine, A2546/0108381, 2-Methyl-5-(4-methyl-1-piperazinyl)-4-nitroaniline
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.23722 |
| Topological Polar Surface Area | 75.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 467.39038 |
Chemical Identifiers
| CAS Number | 347355-95-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N2CCN(CC2)C)[N+](=O)[O-] |
Product Overview
2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline (CAS 347355-95-7), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 2-methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline.
Chemical Property Profile of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline
Property Insights of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline
The XLogP value of 1.23722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline. The TPSA of 75.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline. Following Lipinski's Rule of Five, 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline has 1 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 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline?
The CAS number of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline is 347355-95-7.
What is the molecular formula of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline?
The molecular formula of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline is C12H18N4O2.
What is the molecular weight of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline?
The molecular weight of 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline is 250.14 g/mol.
Where can I buy 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline?
You can request a quote for 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-methylpiperazin-1-yl)-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.