2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride
TL;DR: 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride (CAS 94441-96-0) is a chemical compound with molecular formula C22H28ClN3S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-1H-indole;hydrochloride
Also Known As: EINECS 305-321-2, 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride, 2-[[3-[4-(benzyl)-1-piperazinyl]propyl]thio]-1h-indole hydrochloride, 2-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-1H-indole hydrochloride, 2-[[3-[4-(BENZYL)-1-PIPERAZINYL]PROPYL]THIO]-1H-INDOLE MONOHYDROCHLORIDE
| Molecular Formula | C22H28ClN3S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 4.8897 |
| Topological Polar Surface Area | 22.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.16925 |
| Heavy Atoms | 27 |
| Complexity | 779.55066 |
Chemical Identifiers
| CAS Number | 94441-96-0 |
|---|---|
| SMILES | C1CN(CCN1CCCSC2=CC3=CC=CC=C3N2)CC4=CC=CC=C4.Cl |
Product Overview
2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride (CAS 94441-96-0), with molecular formula C22H28ClN3S and molecular weight 401.17 g/mol. IUPAC: 2-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-1H-indole;hydrochloride.
Chemical Property Profile of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride
Property Insights of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride
The XLogP value of 4.8897 indicates that 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.27 Ų, 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride has 1 hydrogen bond donor(s) and 3 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 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride?
The CAS number of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride is 94441-96-0.
What is the molecular formula of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride?
The molecular formula of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride is C22H28ClN3S.
What is the molecular weight of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride?
The molecular weight of 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride is 401.17 g/mol.
Where can I buy 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride?
You can request a quote for 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-(Benzyl)-1-piperazinyl)propyl)thio)-1H-indole monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.