(E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577984-77-1) 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-methoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-methoxyphenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-triaz ole-3-thiol, 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3-ISOPROPOXYPHENYL)-4-{[(E)-(3-METHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.28569 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 975.42053 |
Chemical Identifiers
| CAS Number | 577984-77-1 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)OC |
Product Overview
(E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577984-77-1), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 4-[(E)-(3-methoxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.28569 indicates that (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)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 (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)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 (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 577984-77-1.
What is the molecular formula of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C19H20N4O2S.
What is the molecular weight of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 368.13 g/mol.
Where can I buy (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)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 (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-isopropoxyphenyl)-4-((3-methoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.