4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline
TL;DR: 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline (CAS 439110-85-7) 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.
4-methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline
Also Known As: 4-methyl-2-nitro-5-(4-phenylpiperazino)aniline, 4-methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline, 5T-0633
| Molecular Formula | C17H20N4O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.81202 |
| Topological Polar Surface Area | 75.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.15863 |
| Heavy Atoms | 23 |
| Complexity | 710.0333 |
Chemical Identifiers
| CAS Number | 439110-85-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N2CCN(CC2)C3=CC=CC=C3)N)[N+](=O)[O-] |
Product Overview
4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline (CAS 439110-85-7), with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol. IUPAC: 4-methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline.
Chemical Property Profile of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline
Property Insights of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline
The XLogP value of 2.81202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline. The TPSA of 75.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline. Following Lipinski's Rule of Five, 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline 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 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline?
The CAS number of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline is 439110-85-7.
What is the molecular formula of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline?
The molecular formula of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline is C17H20N4O2.
What is the molecular weight of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline?
The molecular weight of 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline is 312.16 g/mol.
Where can I buy 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline?
You can request a quote for 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.