(E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 488727-41-9) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 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-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-ethoxy-3-methoxyphenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3- thiol, 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 3.49019 |
| Topological Polar Surface Area | 77.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 896.44086 |
Chemical Identifiers
| CAS Number | 488727-41-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CO3)OC |
Product Overview
(E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 488727-41-9), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: 4-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.49019 indicates that (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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 (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 488727-41-9.
What is the molecular formula of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is C16H16N4O3S.
What is the molecular weight of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol is 344.09 g/mol.
Where can I buy (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-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 (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-ethoxy-3-methoxybenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.