4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 487023-02-9) 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-ethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-((4-ETHOXYBENZYLIDENE)AMINO)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazole-3-thio l, 4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.80059 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 885.44446 |
Chemical Identifiers
| CAS Number | 487023-02-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 487023-02-9), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.80059 indicates that 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-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-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-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-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 487023-02-9.
What is the molecular formula of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is C18H18N4O2S.
What is the molecular weight of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol is 354.12 g/mol.
Where can I buy 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-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-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Ethoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.