2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone
TL;DR: 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone (CAS 831212-43-2) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetylindol-1-yl)-1-(azepan-1-yl)ethanone
Also Known As: 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone, 2-(3-acetylindol-1-yl)-1-(azepan-1-yl)ethanone, AB01311615-01, 2-(3-ACETYL-1H-INDOL-1-YL)-1-(AZEPAN-1-YL)ETHAN-1-ONE
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 3.2465 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 694.1751 |
Chemical Identifiers
| CAS Number | 831212-43-2 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3 |
Product Overview
2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone (CAS 831212-43-2), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: 2-(3-acetylindol-1-yl)-1-(azepan-1-yl)ethanone.
Chemical Property Profile of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone
Property Insights of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone
The XLogP value of 3.2465 indicates that 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone has 0 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 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone?
The CAS number of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone is 831212-43-2.
What is the molecular formula of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone?
The molecular formula of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone is C18H22N2O2.
What is the molecular weight of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone?
The molecular weight of 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone is 298.17 g/mol.
Where can I buy 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone?
You can request a quote for 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-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 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-acetyl-1H-indol-1-yl)-1-(azepan-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.