N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
TL;DR: N-(4-Methoxybenzyl)-3,5-trimethoxyaniline (CAS 134029-87-1) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyl]aniline
Also Known As: NCI60_010247, N-(4-Methoxybenzyl)-3,5-trimethoxyaniline, 3,4,5-trimethoxy-N-(4-methoxybenzyl)aniline, 3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyl]aniline, 4-Methoxy-N-(3,4,5-trimethoxyphenyl)benzenemethanamine
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 134029-87-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | DYEUTHLELOFMTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Methoxybenzyl)-3,5-trimethoxyaniline (CAS 134029-87-1), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyl]aniline.
Chemical Property Profile of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
Property Insights of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
The XLogP value of 3.3 indicates that N-(4-Methoxybenzyl)-3,5-trimethoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, N-(4-Methoxybenzyl)-3,5-trimethoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Methoxybenzyl)-3,5-trimethoxyaniline 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-(4-Methoxybenzyl)-3,5-trimethoxyaniline?
The CAS number of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline is 134029-87-1.
What is the molecular formula of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline?
The molecular formula of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline is C17H21NO4.
What is the molecular weight of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline?
The molecular weight of N-(4-Methoxybenzyl)-3,5-trimethoxyaniline is 303.15 g/mol.
Where can I buy N-(4-Methoxybenzyl)-3,5-trimethoxyaniline?
You can request a quote for N-(4-Methoxybenzyl)-3,5-trimethoxyaniline 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)-3,5-trimethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methoxybenzyl)-3,5-trimethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.