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N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline
TL;DR: N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline (CAS 717892-72-3) is a chemical compound with molecular formula C18H22N2OS and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylaniline
Also Known As: N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline, AN-465/42889400, N-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylaniline, (4-Methylsulfanyl-benzyl)-(4-morpholin-4-yl-phenyl)-amine, N-[4-(methylsulfanyl)benzyl]-N-[4-(4-morpholinyl)phenyl]amine
| Molecular Formula | C18H22N2OS |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 3.8572 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1453 |
| Heavy Atoms | 22 |
| Complexity | 577.0411 |
Chemical Identifiers
| CAS Number | 717892-72-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCOCC3 |
Product Overview
N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline (CAS 717892-72-3), with molecular formula C18H22N2OS and molecular weight 314.15 g/mol. IUPAC: N-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylaniline.
Chemical Property Profile of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline
Property Insights of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline
The XLogP value of 3.8572 indicates that N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)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-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline?
The CAS number of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline is 717892-72-3.
What is the molecular formula of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline?
The molecular formula of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline is C18H22N2OS.
What is the molecular weight of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline?
The molecular weight of N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline is 314.15 g/mol.
Where can I buy N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline?
You can request a quote for N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(methylsulfanyl)benzyl]-4-(morpholin-4-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.