3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole
TL;DR: 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 831249-79-7) is a chemical compound with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1H-indole
Also Known As: F0653-0097, 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole, 3-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole, 5-[(o-chlorophenyl)methylthio]-3-(3-indolyl)-4-methyl-4H-1,2,4-triazole, (3Z)-3-[3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
| Molecular Formula | C18H15ClN4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 4.9091 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0706 |
| Heavy Atoms | 24 |
| Complexity | 1005.10736 |
Chemical Identifiers
| CAS Number | 831249-79-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CNC4=CC=CC=C43 |
Product Overview
3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 831249-79-7), with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol. IUPAC: 3-[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole
Property Insights of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole
The XLogP value of 4.9091 indicates that 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole has 1 hydrogen bond donor(s) and 3 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 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole?
The CAS number of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole is 831249-79-7.
What is the molecular formula of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular formula of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole is C18H15ClN4S.
What is the molecular weight of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular weight of 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole is 354.07 g/mol.
Where can I buy 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole?
You can request a quote for 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-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-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.