![4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/691/691385-07-6.png)
4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 691385-07-6) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione, 4-[(E)-(3-methoxy-4-phenethyloxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione, 4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methyleneamino]-3-methyl-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1-azavinyl}-5-methyl-1,2,4-tria zole-3-thiol
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.76141 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 947.67303 |
Chemical Identifiers
| CAS Number | 691385-07-6 |
|---|---|
| SMILES | CC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC |
Product Overview
4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol (CAS 691385-07-6), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 4-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.76141 indicates that 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-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)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-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)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol is 691385-07-6.
What is the molecular formula of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol is C19H20N4O2S.
What is the molecular weight of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol is 368.13 g/mol.
Where can I buy 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-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)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-{[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene}amino]-5-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.