1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 896067-97-3) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(2-methoxyphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2-methoxyphenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.77412 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 905.1898 |
Chemical Identifiers
| CAS Number | 896067-97-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2C)SCC(=O)C3=CC=CC=C3OC |
Product Overview
1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 896067-97-3), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 1-(2-methoxyphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 3.77412 indicates that 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone 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 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 896067-97-3.
What is the molecular formula of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C19H19N3O2S.
What is the molecular weight of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 353.12 g/mol.
Where can I buy 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methoxyphenyl)-2-((4-methyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.