3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
TL;DR: 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 863002-20-4) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methoxyethyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
Also Known As: 3-[4-(2-methoxyethyl)-5-[(1-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]-1H-indole, F0653-0338, 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole, (3Z)-3-[4-(2-methoxyethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole, 3-[4-(2-methoxyethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.9261 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 1025.0372 |
Chemical Identifiers
| CAS Number | 863002-20-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC2=NN=C(N2CCOC)C3=CNC4=CC=CC=C43 |
Product Overview
3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 863002-20-4), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: 3-[4-(2-methoxyethyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
Property Insights of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole
The XLogP value of 4.9261 indicates that 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-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 55.73 Ų, 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-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-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole has 1 hydrogen bond donor(s) and 4 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-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The CAS number of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 863002-20-4.
What is the molecular formula of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular formula of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is C21H22N4OS.
What is the molecular weight of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular weight of 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole is 378.15 g/mol.
Where can I buy 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
You can request a quote for 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-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-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2-methoxyethyl)-5-((1-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.