(E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine (CAS 328021-60-9) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methoxyphenyl)-N-(3-prop-2-enylsulfanyl-1,2,4-triazol-4-yl)methanimine
Also Known As: (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine, 1-(4-methoxyphenyl)-N-(3-prop-2-enylsulfanyl-1,2,4-triazol-4-yl)methanimine, 1-[(1E)-2-(3-prop-2-enylthio(1,2,4-triazol-4-yl))-2-azavinyl]-4-methoxybenzene, N-[(E)-(4-methoxyphenyl)methylidene]-3-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.447 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 562.2771 |
Chemical Identifiers
| CAS Number | 328021-60-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=N/N2C=NN=C2SCC=C |
Product Overview
(E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine (CAS 328021-60-9), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: (E)-1-(4-methoxyphenyl)-N-(3-prop-2-enylsulfanyl-1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 52.3 Ų, (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(allylthio)-N-(4-methoxybenzylidene)-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)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine is 328021-60-9.
What is the molecular formula of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine is C13H14N4OS.
What is the molecular weight of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine is 274.09 g/mol.
Where can I buy (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-3-(allylthio)-N-(4-methoxybenzylidene)-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)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(allylthio)-N-(4-methoxybenzylidene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.