N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline
TL;DR: N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline (CAS 355814-34-5) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline
Also Known As: N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline, N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline, AB00088196-01, [(3,5-dimethoxyphenyl)methyl](2-methyl-4-nitrophenyl)amine, N-(3,5-DIMETHOXYBENZYL)-N-(2-METHYL-4-NITROPHENYL)AMINE
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 3.53252 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 663.5912 |
Chemical Identifiers
| CAS Number | 355814-34-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC(=C2)OC)OC |
Product Overview
N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline (CAS 355814-34-5), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline.
Chemical Property Profile of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline
Property Insights of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline
The XLogP value of 3.53252 indicates that N-(3,5-dimethoxybenzyl)-2-methyl-4-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-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline. Following Lipinski's Rule of Five, N-(3,5-dimethoxybenzyl)-2-methyl-4-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-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline?
The CAS number of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline is 355814-34-5.
What is the molecular formula of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline?
The molecular formula of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline is C16H18N2O4.
What is the molecular weight of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline?
The molecular weight of N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline is 302.13 g/mol.
Where can I buy N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline?
You can request a quote for N-(3,5-dimethoxybenzyl)-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-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethoxybenzyl)-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.