![5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/691/691385-08-7.png)
5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol (CAS 691385-08-7) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol, 3-ethyl-4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 3-ethyl-4-[(E)-(3-methoxy-4-phenethyloxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-ethyl-4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1-azavinyl}-5-ethyl-1,2,4-triaz ole-3-thiol
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 4.01539 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 963.6131 |
Chemical Identifiers
| CAS Number | 691385-08-7 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC |
Product Overview
5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol (CAS 691385-08-7), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 3-ethyl-4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.01539 indicates that 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-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 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-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 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is 691385-08-7.
What is the molecular formula of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is C20H22N4O2S.
What is the molecular weight of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol is 382.15 g/mol.
Where can I buy 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-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 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.