N-methyl-2-nitro-5-piperazin-1-ylaniline
TL;DR: N-methyl-2-nitro-5-piperazin-1-ylaniline (CAS 591735-98-7) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-nitro-5-piperazin-1-ylaniline
Also Known As: N-methyl-2-nitro-5-piperazin-1-ylaniline, N-methyl-2-nitro-5-(piperazin-1-yl)aniline, N-methyl-2-nitro-5-(1-piperazinyl)aniline, N-methyl-2-nitro-5-piperazin-1-yl-aniline
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.0461 |
| Topological Polar Surface Area | 70.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 415.9325 |
Chemical Identifiers
| CAS Number | 591735-98-7 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)N2CCNCC2)[N+](=O)[O-] |
Product Overview
N-methyl-2-nitro-5-piperazin-1-ylaniline (CAS 591735-98-7), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: N-methyl-2-nitro-5-piperazin-1-ylaniline.
Chemical Property Profile of N-methyl-2-nitro-5-piperazin-1-ylaniline
Property Insights of N-methyl-2-nitro-5-piperazin-1-ylaniline
The XLogP value of 1.0461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2-nitro-5-piperazin-1-ylaniline. The TPSA of 70.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-2-nitro-5-piperazin-1-ylaniline. Following Lipinski's Rule of Five, N-methyl-2-nitro-5-piperazin-1-ylaniline has 2 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 N-methyl-2-nitro-5-piperazin-1-ylaniline?
The CAS number of N-methyl-2-nitro-5-piperazin-1-ylaniline is 591735-98-7.
What is the molecular formula of N-methyl-2-nitro-5-piperazin-1-ylaniline?
The molecular formula of N-methyl-2-nitro-5-piperazin-1-ylaniline is C11H16N4O2.
What is the molecular weight of N-methyl-2-nitro-5-piperazin-1-ylaniline?
The molecular weight of N-methyl-2-nitro-5-piperazin-1-ylaniline is 236.13 g/mol.
Where can I buy N-methyl-2-nitro-5-piperazin-1-ylaniline?
You can request a quote for N-methyl-2-nitro-5-piperazin-1-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2-nitro-5-piperazin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2-nitro-5-piperazin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.