N-(3,4-Dimethoxybenzyl)-2-nitroaniline
TL;DR: N-(3,4-Dimethoxybenzyl)-2-nitroaniline (CAS 5729-19-1) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-2-nitroaniline
Also Known As: N-(3,4-Dimethoxybenzyl)-2-nitroaniline, (3,4-dimethoxybenzyl)(2-nitrophenyl)amine, IMI072, N-[(3,4-DIMETHOXYPHENYL)METHYL]-2-NITROANILINE, N-(3,4-dimethoxyphenyl)methyl-2-nitroaniline
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 3.2241 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 643.3208 |
Chemical Identifiers
| CAS Number | 5729-19-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=CC=CC=C2[N+](=O)[O-])OC |
Product Overview
N-(3,4-Dimethoxybenzyl)-2-nitroaniline (CAS 5729-19-1), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-2-nitroaniline.
Chemical Property Profile of N-(3,4-Dimethoxybenzyl)-2-nitroaniline
Property Insights of N-(3,4-Dimethoxybenzyl)-2-nitroaniline
The XLogP value of 3.2241 indicates that N-(3,4-Dimethoxybenzyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-Dimethoxybenzyl)-2-nitroaniline. Following Lipinski's Rule of Five, N-(3,4-Dimethoxybenzyl)-2-nitroaniline 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-(3,4-Dimethoxybenzyl)-2-nitroaniline?
The CAS number of N-(3,4-Dimethoxybenzyl)-2-nitroaniline is 5729-19-1.
What is the molecular formula of N-(3,4-Dimethoxybenzyl)-2-nitroaniline?
The molecular formula of N-(3,4-Dimethoxybenzyl)-2-nitroaniline is C15H16N2O4.
What is the molecular weight of N-(3,4-Dimethoxybenzyl)-2-nitroaniline?
The molecular weight of N-(3,4-Dimethoxybenzyl)-2-nitroaniline is 288.11 g/mol.
Where can I buy N-(3,4-Dimethoxybenzyl)-2-nitroaniline?
You can request a quote for N-(3,4-Dimethoxybenzyl)-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-(3,4-Dimethoxybenzyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dimethoxybenzyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.