![2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine structure](/static/products/5007/500727-75-3.webp)
2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine
TL;DR: 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine (CAS 500727-75-3) 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-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfanylaniline
Also Known As: 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine, N-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfanylaniline, N-[(2,3-DIMETHOXYPHENYL)METHYL]-4-(METHYLSULFANYL)ANILINE
| Molecular Formula | C16H19NO2S |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.11365 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 500727-75-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)CNC2=CC=C(C=C2)SC |
| InChIKey | AFNXTMWWRYFDDI-UHFFFAOYSA-N |
Product Overview
2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine (CAS 500727-75-3), with molecular formula C16H19NO2S and molecular weight 289.11 g/mol. IUPAC: N-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfanylaniline.
Chemical Property Profile of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine
Property Insights of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine
The XLogP value of 3.9 indicates that 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine 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 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine?
The CAS number of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine is 500727-75-3.
What is the molecular formula of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine?
The molecular formula of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine is C16H19NO2S.
What is the molecular weight of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine?
The molecular weight of 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine is 289.11 g/mol.
Where can I buy 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine?
You can request a quote for 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethoxy-N-[4-(methylthio)phenyl]benzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.