1-Benzoyl-3-phenyl-1,2,4-triazole
TL;DR: 1-Benzoyl-3-phenyl-1,2,4-triazole (CAS 79746-00-2) is a chemical compound with molecular formula C15H11N3O and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(3-phenyl-1,2,4-triazol-1-yl)methanone
Also Known As: 1-Benzoyl-3-phenyl-1,2,4-triazole, 1-BENZOYL-3-PHENYL-1H-1,2,4-TRIAZOLE, Phenyl(3-phenyl-1H-1,2,4-triazol-1-yl)methanone, phenyl-(3-phenyl-1,2,4-triazol-1-yl)methanone, RefChem:227853
| Molecular Formula | C15H11N3O |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09021 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 79746-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=N2)C(=O)C3=CC=CC=C3 |
| InChIKey | RWZKIUVDWMAQGQ-UHFFFAOYSA-N |
Product Overview
1-Benzoyl-3-phenyl-1,2,4-triazole (CAS 79746-00-2), with molecular formula C15H11N3O and molecular weight 249.09 g/mol. IUPAC: phenyl-(3-phenyl-1,2,4-triazol-1-yl)methanone.
Chemical Property Profile of 1-Benzoyl-3-phenyl-1,2,4-triazole
Property Insights of 1-Benzoyl-3-phenyl-1,2,4-triazole
The XLogP value of 3.2 indicates that 1-Benzoyl-3-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 1-Benzoyl-3-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-3-phenyl-1,2,4-triazole 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 1-Benzoyl-3-phenyl-1,2,4-triazole?
The CAS number of 1-Benzoyl-3-phenyl-1,2,4-triazole is 79746-00-2.
What is the molecular formula of 1-Benzoyl-3-phenyl-1,2,4-triazole?
The molecular formula of 1-Benzoyl-3-phenyl-1,2,4-triazole is C15H11N3O.
What is the molecular weight of 1-Benzoyl-3-phenyl-1,2,4-triazole?
The molecular weight of 1-Benzoyl-3-phenyl-1,2,4-triazole is 249.09 g/mol.
Where can I buy 1-Benzoyl-3-phenyl-1,2,4-triazole?
You can request a quote for 1-Benzoyl-3-phenyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.