N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline
TL;DR: N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline (CAS 332108-03-9) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-4-nitroaniline
Also Known As: BAS 01125089, N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline, N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-4-nitroaniline, (4-Methoxy-3-methyl-benzyl)-(2-methyl-4-nitro-phenyl)-amine
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 3.83234 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 668.56683 |
Chemical Identifiers
| CAS Number | 332108-03-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C)OC |
Product Overview
N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline (CAS 332108-03-9), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-4-nitroaniline.
Chemical Property Profile of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline
Property Insights of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline
The XLogP value of 3.83234 indicates that N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline. Following Lipinski's Rule of Five, N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline has 1 hydrogen bond donor(s) and 4 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-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline?
The CAS number of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline is 332108-03-9.
What is the molecular formula of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline?
The molecular formula of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline is C16H18N2O3.
What is the molecular weight of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline?
The molecular weight of N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline is 286.13 g/mol.
Where can I buy N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline?
You can request a quote for N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxy-3-methylbenzyl)-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.