![4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/7492/749219-24-7.webp)
4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 749219-24-7) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[2-(3,4-Diethoxy-phenyl)-ethyl]-5-(4-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(3,4-Diethoxyphenethyl)-5-(4-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.65639 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 963.77234 |
Chemical Identifiers
| CAS Number | 749219-24-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC)OCC |
Product Overview
4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 749219-24-7), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 4-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.65639 indicates that 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol 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 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 749219-24-7.
What is the molecular formula of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C21H25N3O3S.
What is the molecular weight of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 399.16 g/mol.
Where can I buy 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-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-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3,4-diethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.