2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline
TL;DR: 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline (CAS 332107-80-9) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
Also Known As: 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline, BAS 01124815, 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline, AB00089662-01, (2-Methyl-4-nitro-phenyl)-(2,4,5-trimethoxy-benzyl)-amine
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 3.54112 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 746.00104 |
Chemical Identifiers
| CAS Number | 332107-80-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2OC)OC)OC |
Product Overview
2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline (CAS 332107-80-9), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: 2-methyl-4-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.
Chemical Property Profile of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline
Property Insights of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline
The XLogP value of 3.54112 indicates that 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline. Following Lipinski's Rule of Five, 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline has 1 hydrogen bond donor(s) and 6 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 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline?
The CAS number of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline is 332107-80-9.
What is the molecular formula of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline?
The molecular formula of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline is C17H20N2O5.
What is the molecular weight of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline?
The molecular weight of 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline is 332.14 g/mol.
Where can I buy 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline?
You can request a quote for 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-nitro-N-(2,4,5-trimethoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.