5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
TL;DR: 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one (CAS 860784-89-0) is a chemical compound with molecular formula C23H21N3O3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
Also Known As: 5-methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one, 12T-0334, 5-methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-methyl-1-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C23H21N3O3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 4.21372 |
| Topological Polar Surface Area | 58.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.1583 |
| Heavy Atoms | 29 |
| Complexity | 1117.7592 |
Chemical Identifiers
| CAS Number | 860784-89-0 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CCOC4=CC=CC=C4 |
Product Overview
5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one (CAS 860784-89-0), with molecular formula C23H21N3O3 and molecular weight 387.16 g/mol. IUPAC: 5-methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
Property Insights of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
The XLogP value of 4.21372 indicates that 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-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 58.28 Ų, 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one has 0 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 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one?
The CAS number of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one is 860784-89-0.
What is the molecular formula of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one?
The molecular formula of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one is C23H21N3O3.
What is the molecular weight of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one?
The molecular weight of 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one is 387.16 g/mol.
Where can I buy 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one?
You can request a quote for 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-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 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(2-phenoxyethyl)-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.