![4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/500/500275-83-2.png)
4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 500275-83-2) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.89719 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 931.74915 |
Chemical Identifiers
| CAS Number | 500275-83-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OC |
Product Overview
4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 500275-83-2), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.89719 indicates that 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-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-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 500275-83-2.
What is the molecular formula of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is C18H18N4O2S.
What is the molecular weight of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 354.12 g/mol.
Where can I buy 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-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-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.