![5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine structure](/static/products/577/577990-77-3.png)
5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
TL;DR: 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine (CAS 577990-77-3) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(4-ethoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-ethoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 5-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 3.2581 |
| Topological Polar Surface Area | 109.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 893.7667 |
Chemical Identifiers
| CAS Number | 577990-77-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine (CAS 577990-77-3), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 3-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
Property Insights of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
The XLogP value of 3.2581 indicates that 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine. Following Lipinski's Rule of Five, 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine has 1 hydrogen bond donor(s) and 7 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 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine?
The CAS number of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine is 577990-77-3.
What is the molecular formula of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine?
The molecular formula of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine is C17H17N5O3S.
What is the molecular weight of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine?
The molecular weight of 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine is 371.11 g/mol.
Where can I buy 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine?
You can request a quote for 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.