N-((1H-indol-3-yl)methyl)-4-methoxyaniline
TL;DR: N-((1H-indol-3-yl)methyl)-4-methoxyaniline (CAS 51597-78-5) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-indol-3-ylmethyl)-4-methoxyaniline
Also Known As: starbld0023607, N-((1H-indol-3-yl)methyl)-4-methoxyaniline, 3-(p-anisidinomethyl)indole, N-(1H-indol-3-ylmethyl)-4-methoxyaniline, N-(1H-indol-3-ylmethyl)-4-methoxy-aniline
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.7886 |
| Topological Polar Surface Area | 37.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 670.5366 |
Chemical Identifiers
| CAS Number | 51597-78-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=CNC3=CC=CC=C32 |
Product Overview
N-((1H-indol-3-yl)methyl)-4-methoxyaniline (CAS 51597-78-5), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: N-(1H-indol-3-ylmethyl)-4-methoxyaniline.
Chemical Property Profile of N-((1H-indol-3-yl)methyl)-4-methoxyaniline
Property Insights of N-((1H-indol-3-yl)methyl)-4-methoxyaniline
The XLogP value of 3.7886 indicates that N-((1H-indol-3-yl)methyl)-4-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.05 Ų, N-((1H-indol-3-yl)methyl)-4-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((1H-indol-3-yl)methyl)-4-methoxyaniline has 2 hydrogen bond donor(s) and 2 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-((1H-indol-3-yl)methyl)-4-methoxyaniline?
The CAS number of N-((1H-indol-3-yl)methyl)-4-methoxyaniline is 51597-78-5.
What is the molecular formula of N-((1H-indol-3-yl)methyl)-4-methoxyaniline?
The molecular formula of N-((1H-indol-3-yl)methyl)-4-methoxyaniline is C16H16N2O.
What is the molecular weight of N-((1H-indol-3-yl)methyl)-4-methoxyaniline?
The molecular weight of N-((1H-indol-3-yl)methyl)-4-methoxyaniline is 252.13 g/mol.
Where can I buy N-((1H-indol-3-yl)methyl)-4-methoxyaniline?
You can request a quote for N-((1H-indol-3-yl)methyl)-4-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1H-indol-3-yl)methyl)-4-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-((1H-indol-3-yl)methyl)-4-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.