4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
TL;DR: 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one (CAS 947-85-3) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-methyl-5-phenyl-1,2,4-triazol-3-one
Also Known As: 5-26-04-00315 (Beilstein Handbook Reference), 2,4-Dihydro-4-ethyl-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-, 4-ethyl-2-methyl-5-phenyl-1,2,4-triazol-3-one, 4-Ethyl-2-methyl-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 947-85-3 |
|---|---|
| SMILES | CCN1C(=NN(C1=O)C)C2=CC=CC=C2 |
| InChIKey | AQAZETUOZLTEMY-UHFFFAOYSA-N |
Product Overview
4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one (CAS 947-85-3), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 4-ethyl-2-methyl-5-phenyl-1,2,4-triazol-3-one.
Chemical Property Profile of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
Property Insights of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 35.9 Ų, 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 2 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-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one?
The CAS number of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one is 947-85-3.
What is the molecular formula of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one?
The molecular formula of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one is C11H13N3O.
What is the molecular weight of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one?
The molecular weight of 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one is 203.11 g/mol.
Where can I buy 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one?
You can request a quote for 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-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-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.