4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 525581-63-9) is a chemical compound with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethyl)-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-phenethyl-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(2-phenylethyl)-5-(3,4,5-triethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2-PHENYLETHYL)-5-(3,4,5-TRIETHOXYPHENYL)-2H-1,2,4-TRIAZOLE-3-THIONE
| Molecular Formula | C22H27N3O3S |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 5.04649 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.1773 |
| Heavy Atoms | 29 |
| Complexity | 955.4627 |
Chemical Identifiers
| CAS Number | 525581-63-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C2=NNC(=S)N2CCC3=CC=CC=C3 |
Product Overview
4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 525581-63-9), with molecular formula C22H27N3O3S and molecular weight 413.18 g/mol. IUPAC: 4-(2-phenylethyl)-3-(3,4,5-triethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.04649 indicates that 4-phenethyl-5-(3,4,5-triethoxyphenyl)-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-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 525581-63-9.
What is the molecular formula of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C22H27N3O3S.
What is the molecular weight of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 413.18 g/mol.
Where can I buy 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-phenethyl-5-(3,4,5-triethoxyphenyl)-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-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-phenethyl-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.