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Butyl({[4-(methylsulfanyl)phenyl]methyl})amine
TL;DR: Butyl({[4-(methylsulfanyl)phenyl]methyl})amine (CAS 774556-29-5) is a chemical compound with molecular formula C12H19NS and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylsulfanylphenyl)methyl]butan-1-amine
Also Known As: Butyl({[4-(methylsulfanyl)phenyl]methyl})amine, N-[(4-methylsulfanylphenyl)methyl]butan-1-amine, N-[4-(methylsulfanyl)benzyl]butan-1-amine, N-butyl-N-[4-(methylsulfanyl)benzyl]amine, AN-465/42886826
| Molecular Formula | C12H19NS |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 3.2982 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.12383 |
| Heavy Atoms | 14 |
| Complexity | 243.00357 |
Chemical Identifiers
| CAS Number | 774556-29-5 |
|---|---|
| SMILES | CCCCNCC1=CC=C(C=C1)SC |
Product Overview
Butyl({[4-(methylsulfanyl)phenyl]methyl})amine (CAS 774556-29-5), with molecular formula C12H19NS and molecular weight 209.12 g/mol. IUPAC: N-[(4-methylsulfanylphenyl)methyl]butan-1-amine.
Chemical Property Profile of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine
Property Insights of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine
The XLogP value of 3.2982 indicates that Butyl({[4-(methylsulfanyl)phenyl]methyl})amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Butyl({[4-(methylsulfanyl)phenyl]methyl})amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl({[4-(methylsulfanyl)phenyl]methyl})amine 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 Butyl({[4-(methylsulfanyl)phenyl]methyl})amine?
The CAS number of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine is 774556-29-5.
What is the molecular formula of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine?
The molecular formula of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine is C12H19NS.
What is the molecular weight of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine?
The molecular weight of Butyl({[4-(methylsulfanyl)phenyl]methyl})amine is 209.12 g/mol.
Where can I buy Butyl({[4-(methylsulfanyl)phenyl]methyl})amine?
You can request a quote for Butyl({[4-(methylsulfanyl)phenyl]methyl})amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl({[4-(methylsulfanyl)phenyl]methyl})amine?
Yes, KEHONG BIO provides custom synthesis services for Butyl({[4-(methylsulfanyl)phenyl]methyl})amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.