N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline
TL;DR: N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline (CAS 415972-22-4) is a chemical compound with molecular formula C16H19NO2S and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfanylaniline
Also Known As: BAS 02500366, BIM-0000120.P001, N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline, N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfanylaniline, (2,4-Dimethoxy-benzyl)-(3-methylsulfanyl-phenyl)-amine
| Molecular Formula | C16H19NO2S |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 4.0378 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.11365 |
| Heavy Atoms | 20 |
| Complexity | 572.1534 |
Chemical Identifiers
| CAS Number | 415972-22-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CNC2=CC(=CC=C2)SC)OC |
Product Overview
N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline (CAS 415972-22-4), with molecular formula C16H19NO2S and molecular weight 289.11 g/mol. IUPAC: N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfanylaniline.
Chemical Property Profile of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline
Property Insights of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline
The XLogP value of 4.0378 indicates that N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline has 1 hydrogen bond donor(s) and 4 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-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline?
The CAS number of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline is 415972-22-4.
What is the molecular formula of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline?
The molecular formula of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline is C16H19NO2S.
What is the molecular weight of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline?
The molecular weight of N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline is 289.11 g/mol.
Where can I buy N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline?
You can request a quote for N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dimethoxybenzyl)-3-(methylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.