1-Phenyl-3-hydroxy-1,2,4-triazole
TL;DR: 1-Phenyl-3-hydroxy-1,2,4-triazole (CAS 4231-68-9) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1H-1,2,4-triazol-5-one
Also Known As: 1-phenyl-1H-1,2,4-triazol-3-ol, phenyltriazolol, 1-Phenyl-3-Hydroxy-1,2,4-triazole, 1-Phenyl-1H-1,2,4-triazol-3(2H)-one, 3-Hydroxy-1-phenyl-1,2,4-triazole
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 4231-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NC(=O)N2 |
| InChIKey | QCDMYEHBRNFUQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-hydroxy-1,2,4-triazole (CAS 4231-68-9), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 2-phenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 1-Phenyl-3-hydroxy-1,2,4-triazole
Property Insights of 1-Phenyl-3-hydroxy-1,2,4-triazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-hydroxy-1,2,4-triazole. With a topological polar surface area (TPSA) of 44.7 Ų, 1-Phenyl-3-hydroxy-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-hydroxy-1,2,4-triazole has 1 hydrogen bond donor(s) and 1 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-Phenyl-3-hydroxy-1,2,4-triazole?
The CAS number of 1-Phenyl-3-hydroxy-1,2,4-triazole is 4231-68-9.
What is the molecular formula of 1-Phenyl-3-hydroxy-1,2,4-triazole?
The molecular formula of 1-Phenyl-3-hydroxy-1,2,4-triazole is C8H7N3O.
What is the molecular weight of 1-Phenyl-3-hydroxy-1,2,4-triazole?
The molecular weight of 1-Phenyl-3-hydroxy-1,2,4-triazole is 161.06 g/mol.
Where can I buy 1-Phenyl-3-hydroxy-1,2,4-triazole?
You can request a quote for 1-Phenyl-3-hydroxy-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-Phenyl-3-hydroxy-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-hydroxy-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.