1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone
TL;DR: 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone (CAS 681279-47-0) is a chemical compound with molecular formula C25H30N2OS and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone, F0545-0692, 1-(azepan-1-yl)-2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one, 1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone
| Molecular Formula | C25H30N2OS |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 5.80114 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.2079 |
| Heavy Atoms | 29 |
| Complexity | 999.2261 |
Chemical Identifiers
| CAS Number | 681279-47-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4 |
Product Overview
1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone (CAS 681279-47-0), with molecular formula C25H30N2OS and molecular weight 406.21 g/mol. IUPAC: 1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone
Property Insights of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone
The XLogP value of 5.80114 indicates that 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-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 25.24 Ų, 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-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-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone has 0 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-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone?
The CAS number of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone is 681279-47-0.
What is the molecular formula of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone?
The molecular formula of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone is C25H30N2OS.
What is the molecular weight of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone?
The molecular weight of 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone is 406.21 g/mol.
Where can I buy 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone?
You can request a quote for 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-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-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.