N-(4-methoxybenzyl)-2-nitroaniline
TL;DR: N-(4-methoxybenzyl)-2-nitroaniline (CAS 6113-65-1) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-2-nitroaniline
Also Known As: N-(4-methoxybenzyl)-2-nitroaniline, N-[(4-methoxyphenyl)methyl]-2-nitroaniline, (4-methoxybenzyl)(2-nitrophenyl)amine, 2-Nitro-N-(4-methoxybenzyl)aniline, N-(4-Methoxyphenylmethyl)-2-nitroaniline
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 3.2155 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 567.1587 |
Chemical Identifiers
| CAS Number | 6113-65-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(4-methoxybenzyl)-2-nitroaniline (CAS 6113-65-1), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-2-nitroaniline.
Chemical Property Profile of N-(4-methoxybenzyl)-2-nitroaniline
Property Insights of N-(4-methoxybenzyl)-2-nitroaniline
The XLogP value of 3.2155 indicates that N-(4-methoxybenzyl)-2-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-methoxybenzyl)-2-nitroaniline. Following Lipinski's Rule of Five, N-(4-methoxybenzyl)-2-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-methoxybenzyl)-2-nitroaniline?
The CAS number of N-(4-methoxybenzyl)-2-nitroaniline is 6113-65-1.
What is the molecular formula of N-(4-methoxybenzyl)-2-nitroaniline?
The molecular formula of N-(4-methoxybenzyl)-2-nitroaniline is C14H14N2O3.
What is the molecular weight of N-(4-methoxybenzyl)-2-nitroaniline?
The molecular weight of N-(4-methoxybenzyl)-2-nitroaniline is 258.10 g/mol.
Where can I buy N-(4-methoxybenzyl)-2-nitroaniline?
You can request a quote for N-(4-methoxybenzyl)-2-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-methoxybenzyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxybenzyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.