1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone
TL;DR: 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone (CAS 536702-47-3) is a chemical compound with molecular formula C22H24N2OS and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone
Also Known As: 1-(azepan-1-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethan-1-one, 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone, 1-(azepan-1-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone, F0575-0082
| Molecular Formula | C22H24N2OS |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 5.3296 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.16095 |
| Heavy Atoms | 26 |
| Complexity | 879.55347 |
Chemical Identifiers
| CAS Number | 536702-47-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone (CAS 536702-47-3), with molecular formula C22H24N2OS and molecular weight 364.16 g/mol. IUPAC: 1-(azepan-1-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone
Property Insights of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone
The XLogP value of 5.3296 indicates that 1-(azepan-1-yl)-2-((2-phenyl-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 36.1 Ų, 1-(azepan-1-yl)-2-((2-phenyl-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-((2-phenyl-1H-indol-3-yl)thio)ethanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone?
The CAS number of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone is 536702-47-3.
What is the molecular formula of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone?
The molecular formula of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone is C22H24N2OS.
What is the molecular weight of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone?
The molecular weight of 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone is 364.16 g/mol.
Where can I buy 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone?
You can request a quote for 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-2-((2-phenyl-1H-indol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.