![N-[4-(Methylthio)benzyl]-2-phenylethanamine structure](/static/products/774/774556-31-9.png)
N-[4-(Methylthio)benzyl]-2-phenylethanamine
TL;DR: N-[4-(Methylthio)benzyl]-2-phenylethanamine (CAS 774556-31-9) is a chemical compound with molecular formula C16H19NS and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylsulfanylphenyl)methyl]-2-phenylethanamine
Also Known As: N-[4-(Methylthio)benzyl]-2-phenylethanamine, N-[4-(methylsulfanyl)benzyl]-2-phenylethanamine, AN-465/42886301, J3.171.141J, N-[(4-methylsulfanylphenyl)methyl]-2-phenylethanamine
| Molecular Formula | C16H19NS |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 3.7408 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.1238 |
| Heavy Atoms | 18 |
| Complexity | 450.283 |
Chemical Identifiers
| CAS Number | 774556-31-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNCCC2=CC=CC=C2 |
Product Overview
N-[4-(Methylthio)benzyl]-2-phenylethanamine (CAS 774556-31-9), with molecular formula C16H19NS and molecular weight 257.12 g/mol. IUPAC: N-[(4-methylsulfanylphenyl)methyl]-2-phenylethanamine.
Chemical Property Profile of N-[4-(Methylthio)benzyl]-2-phenylethanamine
Property Insights of N-[4-(Methylthio)benzyl]-2-phenylethanamine
The XLogP value of 3.7408 indicates that N-[4-(Methylthio)benzyl]-2-phenylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-[4-(Methylthio)benzyl]-2-phenylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(Methylthio)benzyl]-2-phenylethanamine has 1 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-[4-(Methylthio)benzyl]-2-phenylethanamine?
The CAS number of N-[4-(Methylthio)benzyl]-2-phenylethanamine is 774556-31-9.
What is the molecular formula of N-[4-(Methylthio)benzyl]-2-phenylethanamine?
The molecular formula of N-[4-(Methylthio)benzyl]-2-phenylethanamine is C16H19NS.
What is the molecular weight of N-[4-(Methylthio)benzyl]-2-phenylethanamine?
The molecular weight of N-[4-(Methylthio)benzyl]-2-phenylethanamine is 257.12 g/mol.
Where can I buy N-[4-(Methylthio)benzyl]-2-phenylethanamine?
You can request a quote for N-[4-(Methylthio)benzyl]-2-phenylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(Methylthio)benzyl]-2-phenylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(Methylthio)benzyl]-2-phenylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.