1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone
TL;DR: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone (CAS 836639-31-7) is a chemical compound with molecular formula C31H35N3O2 and molecular weight 481.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
Also Known As: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone, 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone, 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone, 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
| Molecular Formula | C31H35N3O2 |
|---|---|
| Molecular Weight | 481.27 g/mol |
| LogP | 5.62836 |
| Topological Polar Surface Area | 37.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.27292 |
| Heavy Atoms | 36 |
| Complexity | 1382.2205 |
Chemical Identifiers
| CAS Number | 836639-31-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)C3=C(N(C4=C3C=C(C=C4)OC)CC5=CC=CC=C5)C)C |
Product Overview
1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone (CAS 836639-31-7), with molecular formula C31H35N3O2 and molecular weight 481.27 g/mol. IUPAC: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone
Property Insights of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone
The XLogP value of 5.62836 indicates that 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.71 Ų, 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone?
The CAS number of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone is 836639-31-7.
What is the molecular formula of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone?
The molecular formula of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone is C31H35N3O2.
What is the molecular weight of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone?
The molecular weight of 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone is 481.27 g/mol.
Where can I buy 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone?
You can request a quote for 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-(2,3-dimethylphenyl)piperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.