1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-
TL;DR: 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- (CAS 68661-89-2) is a chemical compound with molecular formula C21H23N3O and molecular weight 333.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-benzylpiperazin-1-yl)indol-1-yl]ethanone
Also Known As: 1-Acetyl-3-benzylpiperazine-indole, 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-, 1-Acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-1H-indole, 1-[3-(4-benzylpiperazin-1-yl)indol-1-yl]ethanone, 1-[3-(4-Benzylpiperazin-1-yl)-1H-indol-1-yl]ethan-1-one
| Molecular Formula | C21H23N3O |
|---|---|
| Molecular Weight | 333.18 g/mol |
| LogP | 3.6236 |
| Topological Polar Surface Area | 28.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1841 |
| Heavy Atoms | 25 |
| Complexity | 876.55237 |
Chemical Identifiers
| CAS Number | 68661-89-2 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- (CAS 68661-89-2), with molecular formula C21H23N3O and molecular weight 333.18 g/mol. IUPAC: 1-[3-(4-benzylpiperazin-1-yl)indol-1-yl]ethanone.
Chemical Property Profile of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-
Property Insights of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-
The XLogP value of 3.6236 indicates that 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.48 Ų, 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- has 0 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 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-?
The CAS number of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- is 68661-89-2.
What is the molecular formula of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-?
The molecular formula of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- is C21H23N3O.
What is the molecular weight of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-?
The molecular weight of 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- is 333.18 g/mol.
Where can I buy 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-?
You can request a quote for 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 1-acetyl-3-(4-(phenylmethyl)-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.