4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-80-1) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
Also Known As: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one, 4-(2,6-dimethylphenyl)-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 3.03826 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 874.4705 |
Chemical Identifiers
| CAS Number | 860784-80-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NN(C2=O)CCOC3=CC=CC=C3)C |
Product Overview
4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-80-1), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.03826 indicates that 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.05 Ų, 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 860784-80-1.
What is the molecular formula of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C19H21N3O2.
What is the molecular weight of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 323.16 g/mol.
Where can I buy 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-dimethylphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.