Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-
TL;DR: Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- (CAS 79746-01-3) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(3-phenyl-1,2,4-triazol-1-yl)ethanone
Also Known As: Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-, J1.591.601J, 1-phenyl-2-(3-phenyl-1,2,4-triazol-1-yl)ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one, 1-Phenyl-2-(3-phenyl-1H-1,2,4-triazole-1-yl)ethanone
| Molecular Formula | C16H13N3O |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.10587 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 79746-01-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=N2)CC(=O)C3=CC=CC=C3 |
| InChIKey | GBROBTSBXNXOEJ-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- (CAS 79746-01-3), with molecular formula C16H13N3O and molecular weight 263.11 g/mol. IUPAC: 1-phenyl-2-(3-phenyl-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-
Property Insights of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-
The XLogP value of 3.2 indicates that Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- 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 Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-?
The CAS number of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- is 79746-01-3.
What is the molecular formula of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-?
The molecular formula of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- is C16H13N3O.
What is the molecular weight of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-?
The molecular weight of Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- is 263.11 g/mol.
Where can I buy Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-?
You can request a quote for Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-phenyl-2-(3-phenyl-1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.