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N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
TL;DR: N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline (CAS 444907-88-4) is a chemical compound with molecular formula C16H19NOS and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
Also Known As: N-(4-ethoxybenzyl)-3-(methylsulfanyl)aniline, N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline, BAS 02500340, BIM-0049043.P001, [(4-ethoxyphenyl)methyl](3-methylthiophenyl)amine
| Molecular Formula | C16H19NOS |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 4.4193 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11874 |
| Heavy Atoms | 19 |
| Complexity | 510.41232 |
Chemical Identifiers
| CAS Number | 444907-88-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)SC |
Product Overview
N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline (CAS 444907-88-4), with molecular formula C16H19NOS and molecular weight 273.12 g/mol. IUPAC: N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline.
Chemical Property Profile of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
Property Insights of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
The XLogP value of 4.4193 indicates that N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline has 1 hydrogen bond donor(s) and 3 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-ethoxyphenyl)methyl]-3-methylsulfanylaniline?
The CAS number of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline is 444907-88-4.
What is the molecular formula of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline?
The molecular formula of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline is C16H19NOS.
What is the molecular weight of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline?
The molecular weight of N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline is 273.12 g/mol.
Where can I buy N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline?
You can request a quote for N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.