3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one
TL;DR: 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one (CAS 95885-13-5) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one
Also Known As: 5-ETHYL-2,4-DIHYDRO-4-(2-PHENOXYETHYL)-3H-1,2,4-TRIAZOL-3-ONE, 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one, 5-ETHYL-4-(2-PHENOXYETHYL)-1,2,4-TRIAZOL-3-ONE, 4-(2-Phenoxyethyl)-5-ethyl-1,2,4-triazol-3-one, EC 414-470-3
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 95885-13-5 |
|---|---|
| SMILES | CCC1=NNC(=O)N1CCOC2=CC=CC=C2 |
| InChIKey | STUGRPIYVZOYAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one (CAS 95885-13-5), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one
Property Insights of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 53.9 Ų, 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one has 1 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-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one?
The CAS number of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one is 95885-13-5.
What is the molecular formula of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one?
The molecular formula of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one is C12H15N3O2.
What is the molecular weight of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one?
The molecular weight of 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one is 233.12 g/mol.
Where can I buy 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one?
You can request a quote for 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.