3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole
TL;DR: 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole (CAS 896858-58-5) is a chemical compound with molecular formula C19H19N3S and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole, 4-methyl-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole, 4-methyl-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
| Molecular Formula | C19H19N3S |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 4.59602 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.12997 |
| Heavy Atoms | 23 |
| Complexity | 806.4919 |
Chemical Identifiers
| CAS Number | 896858-58-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C)SC/C=C/C3=CC=CC=C3 |
Product Overview
3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole (CAS 896858-58-5), with molecular formula C19H19N3S and molecular weight 321.13 g/mol. IUPAC: 4-methyl-3-(3-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole
Property Insights of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole
The XLogP value of 4.59602 indicates that 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole?
The CAS number of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole is 896858-58-5.
What is the molecular formula of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole?
The molecular formula of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole is C19H19N3S.
What is the molecular weight of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole?
The molecular weight of 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole is 321.13 g/mol.
Where can I buy 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole?
You can request a quote for 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(cinnamylthio)-4-methyl-5-(m-tolyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.