3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole
TL;DR: 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole (CAS 681279-96-9) is a chemical compound with molecular formula C24H22ClNS and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-1-[(2,5-dimethylphenyl)methyl]indole
Also Known As: 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole, 3-{[(2-chlorophenyl)methyl]sulfanyl}-1-[(2,5-dimethylphenyl)methyl]-1H-indole, F0545-0744, 3-[(2-chlorophenyl)methylsulfanyl]-1-[(2,5-dimethylphenyl)methyl]indole
| Molecular Formula | C24H22ClNS |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 7.25214 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.11615 |
| Heavy Atoms | 27 |
| Complexity | 1096.6906 |
Chemical Identifiers
| CAS Number | 681279-96-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4Cl |
Product Overview
3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole (CAS 681279-96-9), with molecular formula C24H22ClNS and molecular weight 391.12 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-1-[(2,5-dimethylphenyl)methyl]indole.
Chemical Property Profile of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole
Property Insights of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole
The XLogP value of 7.25214 indicates that 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-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-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-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-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole?
The CAS number of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole is 681279-96-9.
What is the molecular formula of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole?
The molecular formula of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole is C24H22ClNS.
What is the molecular weight of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole?
The molecular weight of 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole is 391.12 g/mol.
Where can I buy 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole?
You can request a quote for 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-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-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-chlorobenzyl)thio)-1-(2,5-dimethylbenzyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.