1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone
TL;DR: 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone (CAS 681273-50-7) is a chemical compound with molecular formula C23H26N2OS and molecular weight 378.17657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(azepan-1-yl)-2-(1-benzylindol-3-yl)sulfanylethanone
Also Known As: 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-(1-benzylindol-3-yl)sulfanylethanone, 1-(azepan-1-yl)-2-[(1-benzyl-1H-indol-3-yl)sulfanyl]ethan-1-one, F0545-0020, 1-(azepan-1-yl)-2-(1-benzylindol-3-yl)sulfanyl-ethanone
Technical Specifications
| Molecular Formula | C23H26N2OS |
| Molecular Weight | 378.17657 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.17657 Da |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
| SMILES | C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 |
| InChIKey | PTIKJGOTCLTWPS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone
Property Insights of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone
The XLogP value of 4.8 indicates that 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)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
What is the CAS number of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone?
The CAS number of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone is 681273-50-7.
What is the molecular formula of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone?
The molecular formula of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone is C23H26N2OS.
What is the molecular weight of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone?
The molecular weight of 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone is 378.17657 g/mol.
Where can I buy 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone?
You can request a quote for 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(azepan-1-yl)-2-((1-benzyl-1H-indol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.