4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol (CAS 17050-55-4) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol, A3020/0127329, 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-thiol, 4-(4-Methoxy-phenyl)-5-(4-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.51369 |
| Topological Polar Surface Area | 85.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 897.7215 |
Chemical Identifiers
| CAS Number | 17050-55-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol (CAS 17050-55-4), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 4-(4-methoxyphenyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.51369 indicates that 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-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-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is 17050-55-4.
What is the molecular formula of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is C15H12N4O3S.
What is the molecular weight of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol is 328.06 g/mol.
Where can I buy 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-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-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.