N-methyl-4-nitro-N-(4-nitrophenyl)aniline
TL;DR: N-methyl-4-nitro-N-(4-nitrophenyl)aniline (CAS 16320-52-8) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-nitro-N-(4-nitrophenyl)aniline
Also Known As: Nintedanib Impurity 95, N-methyl-4-nitro-N-(4-nitrophenyl)aniline, N-Methylbis(4-nitrophenyl)amine, J3.596.424J, Benzenamine, N-methyl-4-nitro-N-(4-nitrophenyl)-
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 3.2709 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 580.1708 |
Chemical Identifiers
| CAS Number | 16320-52-8 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-methyl-4-nitro-N-(4-nitrophenyl)aniline (CAS 16320-52-8), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: N-methyl-4-nitro-N-(4-nitrophenyl)aniline.
Chemical Property Profile of N-methyl-4-nitro-N-(4-nitrophenyl)aniline
Property Insights of N-methyl-4-nitro-N-(4-nitrophenyl)aniline
The XLogP value of 3.2709 indicates that N-methyl-4-nitro-N-(4-nitrophenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-nitro-N-(4-nitrophenyl)aniline. Following Lipinski's Rule of Five, N-methyl-4-nitro-N-(4-nitrophenyl)aniline has 0 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-4-nitro-N-(4-nitrophenyl)aniline?
The CAS number of N-methyl-4-nitro-N-(4-nitrophenyl)aniline is 16320-52-8.
What is the molecular formula of N-methyl-4-nitro-N-(4-nitrophenyl)aniline?
The molecular formula of N-methyl-4-nitro-N-(4-nitrophenyl)aniline is C13H11N3O4.
What is the molecular weight of N-methyl-4-nitro-N-(4-nitrophenyl)aniline?
The molecular weight of N-methyl-4-nitro-N-(4-nitrophenyl)aniline is 273.07 g/mol.
Where can I buy N-methyl-4-nitro-N-(4-nitrophenyl)aniline?
You can request a quote for N-methyl-4-nitro-N-(4-nitrophenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-nitro-N-(4-nitrophenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-nitro-N-(4-nitrophenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.