1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
TL;DR: 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine (CAS 5564-13-6) is a chemical compound with molecular formula C19H22N2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzylsulfanyl-1H-indol-3-yl)-N-methylpropan-2-amine
Also Known As: 5-Benzylthio-3-(2-methylaminopropyl)indole, INDOLE, 5-BENZYLTHIO-3-(2-METHYLAMINOPROPYL)-, 5-22-12-00086 (Beilstein Handbook Reference), 1-(5-benzylsulfanyl-1H-indol-3-yl)-N-methylpropan-2-amine, 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
| Molecular Formula | C19H22N2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.15036 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 5564-13-6 |
|---|---|
| SMILES | CC(CC1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)NC |
| InChIKey | WUCSBBFMOBYCLN-UHFFFAOYSA-N |
Product Overview
1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine (CAS 5564-13-6), with molecular formula C19H22N2S and molecular weight 310.15 g/mol. IUPAC: 1-(5-benzylsulfanyl-1H-indol-3-yl)-N-methylpropan-2-amine.
Chemical Property Profile of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
Property Insights of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
The XLogP value of 4.3 indicates that 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine has 2 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 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine?
The CAS number of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine is 5564-13-6.
What is the molecular formula of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine?
The molecular formula of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine is C19H22N2S.
What is the molecular weight of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine?
The molecular weight of 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine is 310.15 g/mol.
Where can I buy 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine?
You can request a quote for 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.