2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 681276-57-3) 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.
2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone, F0545-0521, 2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one, 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone
| Molecular Formula | C22H24N2OS |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 4.71252 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.16095 |
| Heavy Atoms | 26 |
| Complexity | 907.5419 |
Chemical Identifiers
| CAS Number | 681276-57-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCC4 |
Product Overview
2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 681276-57-3), with molecular formula C22H24N2OS and molecular weight 364.16 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 4.71252 indicates that 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)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, 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-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-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 681276-57-3.
What is the molecular formula of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is C22H24N2OS.
What is the molecular weight of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 364.16 g/mol.
Where can I buy 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-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-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.