3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole
TL;DR: 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 852167-33-0) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,5-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-1H-indole
Also Known As: 3-[4-(2,5-dimethoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole, 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole, (3E)-3-[4-(2,5-dimethoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole, 3-[4-(2,5-dimethoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole, 3-[4-(2,5-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-1H-indole
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 4.1547 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 1070.5347 |
Chemical Identifiers
| CAS Number | 852167-33-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SC)C3=CNC4=CC=CC=C43 |
Product Overview
3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 852167-33-0), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 3-[4-(2,5-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-1H-indole.
Chemical Property Profile of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole
Property Insights of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole
The XLogP value of 4.1547 indicates that 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole. Following Lipinski's Rule of Five, 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole has 1 hydrogen bond donor(s) and 5 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-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The CAS number of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole is 852167-33-0.
What is the molecular formula of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular formula of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole is C19H18N4O2S.
What is the molecular weight of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole?
The molecular weight of 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole is 366.12 g/mol.
Where can I buy 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole?
You can request a quote for 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-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-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(2,5-dimethoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.