(E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 328022-61-3) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methoxyphenyl)-N-[3-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]methanimine
Also Known As: (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine, 1-(4-methoxyphenyl)-N-[3-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]methanimine, 1-{(1E)-2-[3-(2-methylprop-2-enylthio)(1,2,4-triazol-4-yl)]-2-azavinyl}-4-meth oxybenzene, N-[(E)-(4-methoxyphenyl)methylidene]-3-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.8371 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 603.8914 |
Chemical Identifiers
| CAS Number | 328022-61-3 |
|---|---|
| SMILES | CC(=C)CSC1=NN=CN1/N=C/C2=CC=C(C=C2)OC |
Product Overview
(E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 328022-61-3), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: (E)-1-(4-methoxyphenyl)-N-[3-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]methanimine.
Chemical Property Profile of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.8371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 52.3 Ų, (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine has 0 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)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 328022-61-3.
What is the molecular formula of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is C14H16N4OS.
What is the molecular weight of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 288.10 g/mol.
Where can I buy (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-methoxybenzylidene)-3-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.