4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 885458-58-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(4-Ethoxy-phenyl)-5-(1H-indol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione, 4-(4-ethoxyphenyl)-5-indol-3-ylidene-1,2,4-triazolidine-3-thione, (5E)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1,2,4-triazolidine-3-thione
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 4.47689 |
| Topological Polar Surface Area | 58.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 1042.7643 |
Chemical Identifiers
| CAS Number | 885458-58-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CNC4=CC=CC=C43 |
Product Overview
4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 885458-58-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 4-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.47689 indicates that 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.63 Ų, 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol has 2 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 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol is 885458-58-2.
What is the molecular formula of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol is C18H16N4OS.
What is the molecular weight of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol is 336.10 g/mol.
Where can I buy 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.