4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline
TL;DR: 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline (CAS 15163-36-7) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
Also Known As: Hemoglobin karlskoga, 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline, NCI60_017689, NCI60_017690, 4-(Methylthio)-N-(3,4,5-trimethoxybenzyl)aniline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H21NO3S |
| Molecular Weight | 319.1242 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1242 Da |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC |
| InChIKey | ANLBBCQAUDTUDK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline
Property Insights of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline
The XLogP value of 3.8 indicates that 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline. Following Lipinski's Rule of Five, 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline 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
What is the CAS number of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline?
The CAS number of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline is 15163-36-7.
What is the molecular formula of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline?
The molecular formula of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline is C17H21NO3S.
What is the molecular weight of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline?
The molecular weight of 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline is 319.1242 g/mol.
Where can I buy 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline?
You can request a quote for 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline?
Yes, CoreyChem provides custom synthesis services for 4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.