Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-
TL;DR: Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- (CAS 5490-99-3) is a chemical compound with molecular formula C20H24N2S and molecular weight 324.17 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,N-dimethylpropan-2-amine
Also Known As: 5-Benzylthio-3-(2-dimethylaminopropyl)indole, INDOLE, 5-BENZYLTHIO-3-(2-(DIMETHYLAMINO)PROPYL)-, 5-22-12-00086 (Beilstein Handbook Reference), 1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine, 1-[5-(benzylsulfanyl)-1H-indol-3-yl]-N,N-dimethylpropan-2-amine
| Molecular Formula | C20H24N2S |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.16602 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5490-99-3 |
|---|---|
| SMILES | CC(CC1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)N(C)C |
| InChIKey | NMWUUAWMROORFP-UHFFFAOYSA-N |
Product Overview
Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- (CAS 5490-99-3), with molecular formula C20H24N2S and molecular weight 324.17 g/mol. IUPAC: 1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine.
Chemical Property Profile of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-
Property Insights of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-
The XLogP value of 4.8 indicates that Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- 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 Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-?
The CAS number of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- is 5490-99-3.
What is the molecular formula of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-?
The molecular formula of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- is C20H24N2S.
What is the molecular weight of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-?
The molecular weight of Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- is 324.17 g/mol.
Where can I buy Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-?
You can request a quote for Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.