4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 489443-52-9) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E,3E)-4-(2-methoxyphenyl)-1-azabuta-1,3-dienyl]-5-(2-methylphenyl)-1,2,4- triazole-3-thiol, 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E,2E)-3-(2-METHOXYPHENYL)-2-PROPENYLIDENE]AMINO}-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.47201 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 984.83923 |
Chemical Identifiers
| CAS Number | 489443-52-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C=C/C3=CC=CC=C3OC |
Product Overview
4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 489443-52-9), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: 4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.47201 indicates that 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 489443-52-9.
What is the molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is C19H18N4OS.
What is the molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 350.12 g/mol.
Where can I buy 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-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)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.