(E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 488089-71-0) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-methoxynaphthyl)-1-azavinyl]-5-(4-methylphenyl)-1,2,4-triazole-3- thiol, 4-(((2-MEO-1-NAPHTHYL)METHYLENE)AMINO)-5-(4-METHYL-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 4.96011 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1189.0089 |
Chemical Identifiers
| CAS Number | 488089-71-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC4=CC=CC=C43)OC |
Product Overview
(E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 488089-71-0), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 4-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.96011 indicates that (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-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, (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-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 (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 488089-71-0.
What is the molecular formula of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is C21H18N4OS.
What is the molecular weight of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol is 374.12 g/mol.
Where can I buy (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-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 (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((2-methoxynaphthalen-1-yl)methylene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.