4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 675151-08-3) is a chemical compound with molecular formula C19H14N4OS and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenoxyphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(4-phenoxyphenyl)-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol, 4-(4-phenoxyphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-(4-phenoxyphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiol, 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H14N4OS |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.08884 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 675151-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NNC3=S)C4=CC=NC=C4 |
| InChIKey | YZPAGIZAJQYMEJ-UHFFFAOYSA-N |
Product Overview
4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS 675151-08-3), with molecular formula C19H14N4OS and molecular weight 346.09 g/mol. IUPAC: 4-(4-phenoxyphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.7 indicates that 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 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 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 675151-08-3.
What is the molecular formula of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is C19H14N4OS.
What is the molecular weight of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is 346.09 g/mol.
Where can I buy 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-phenoxyphenyl)-5-(pyridin-4-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-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-phenoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.