3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole
TL;DR: 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole (CAS 681280-19-3) is a chemical compound with molecular formula C22H18ClNS and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-1-[(4-chlorophenyl)methyl]indole
Also Known As: 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole, 3-benzylsulfanyl-1-[(4-chlorophenyl)methyl]indole, 3-(benzylsulfanyl)-1-[(4-chlorophenyl)methyl]-1H-indole, F0545-1009
| Molecular Formula | C22H18ClNS |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 6.6353 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.08484 |
| Heavy Atoms | 25 |
| Complexity | 974.02344 |
Chemical Identifiers
| CAS Number | 681280-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl |
Product Overview
3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole (CAS 681280-19-3), with molecular formula C22H18ClNS and molecular weight 363.08 g/mol. IUPAC: 3-benzylsulfanyl-1-[(4-chlorophenyl)methyl]indole.
Chemical Property Profile of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole
Property Insights of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole
The XLogP value of 6.6353 indicates that 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole?
The CAS number of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole is 681280-19-3.
What is the molecular formula of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole?
The molecular formula of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole is C22H18ClNS.
What is the molecular weight of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole?
The molecular weight of 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole is 363.08 g/mol.
Where can I buy 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole?
You can request a quote for 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylthio)-1-(4-chlorobenzyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.