3-((4-benzylpiperazino)methyl)-1H-indole
TL;DR: 3-((4-benzylpiperazino)methyl)-1H-indole (CAS 17511-50-1) is a chemical compound with molecular formula C20H23N3 and molecular weight 305.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole
Also Known As: ChemDiv2_004231, 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole, BAS 04057577, 3-[(4-benzylpiperazino)methyl]-1H-indole, 3-((4-benzylpiperazin-1-yl)methyl)-1H-indole
| Molecular Formula | C20H23N3 |
|---|---|
| Molecular Weight | 305.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1892 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 17511-50-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43 |
| InChIKey | YHZKIEWEQQRAHY-UHFFFAOYSA-N |
Product Overview
3-((4-benzylpiperazino)methyl)-1H-indole (CAS 17511-50-1), with molecular formula C20H23N3 and molecular weight 305.19 g/mol. IUPAC: 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole.
Chemical Property Profile of 3-((4-benzylpiperazino)methyl)-1H-indole
Property Insights of 3-((4-benzylpiperazino)methyl)-1H-indole
The XLogP value of 3.1 indicates that 3-((4-benzylpiperazino)methyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.3 Ų, 3-((4-benzylpiperazino)methyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-benzylpiperazino)methyl)-1H-indole 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 3-((4-benzylpiperazino)methyl)-1H-indole?
The CAS number of 3-((4-benzylpiperazino)methyl)-1H-indole is 17511-50-1.
What is the molecular formula of 3-((4-benzylpiperazino)methyl)-1H-indole?
The molecular formula of 3-((4-benzylpiperazino)methyl)-1H-indole is C20H23N3.
What is the molecular weight of 3-((4-benzylpiperazino)methyl)-1H-indole?
The molecular weight of 3-((4-benzylpiperazino)methyl)-1H-indole is 305.19 g/mol.
Where can I buy 3-((4-benzylpiperazino)methyl)-1H-indole?
You can request a quote for 3-((4-benzylpiperazino)methyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-benzylpiperazino)methyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-benzylpiperazino)methyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.