2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 681273-47-2) is a chemical compound with molecular formula C21H22N2OS and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylindol-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_002387, 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-(1-benzylindol-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone, 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one, F0545-0017
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 4.4041 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 865.9932 |
Chemical Identifiers
| CAS Number | 681273-47-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4 |
Product Overview
2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 681273-47-2), with molecular formula C21H22N2OS and molecular weight 350.15 g/mol. IUPAC: 2-(1-benzylindol-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 4.4041 indicates that 2-((1-benzyl-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-benzyl-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-benzyl-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-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 681273-47-2.
What is the molecular formula of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is C21H22N2OS.
What is the molecular weight of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 350.15 g/mol.
Where can I buy 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-((1-benzyl-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-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-indol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.