N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline
TL;DR: N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline (CAS 433245-84-2) 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.
N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline
Also Known As: N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline, N,N-dimethyl-3-nitro-4-(piperazin-1-yl)aniline, AB00122284-01, N,N-dimethyl-3-nitro-4-piperazin-1-yl-aniline
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.0704 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 441.70358 |
Chemical Identifiers
| CAS Number | 433245-84-2 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-] |
Product Overview
N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline (CAS 433245-84-2), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline.
Chemical Property Profile of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline
Property Insights of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline
The XLogP value of 1.0704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline. Following Lipinski's Rule of Five, N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline 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 N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline?
The CAS number of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline is 433245-84-2.
What is the molecular formula of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline?
The molecular formula of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline is C12H18N4O2.
What is the molecular weight of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline?
The molecular weight of N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline is 250.14 g/mol.
Where can I buy N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline?
You can request a quote for N,N-dimethyl-3-nitro-4-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,N-dimethyl-3-nitro-4-piperazin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-3-nitro-4-piperazin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.