2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone
TL;DR: 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 450349-34-5) is a chemical compound with molecular formula C22H23ClN2OS and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone
Also Known As: 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone, F0545-1026, 2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one, 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone
| Molecular Formula | C22H23ClN2OS |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 5.4476 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.12195 |
| Heavy Atoms | 27 |
| Complexity | 929.1407 |
Chemical Identifiers
| CAS Number | 450349-34-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl |
Product Overview
2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 450349-34-5), with molecular formula C22H23ClN2OS and molecular weight 398.12 g/mol. IUPAC: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone
Property Insights of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone
The XLogP value of 5.4476 indicates that 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-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-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)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 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The CAS number of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone is 450349-34-5.
What is the molecular formula of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone is C22H23ClN2OS.
What is the molecular weight of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone is 398.12 g/mol.
Where can I buy 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-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-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-chlorobenzyl)-1H-indol-3-yl)thio)-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.