3-Phenyl-4H-1,2,4-triazol-4-ol
TL;DR: 3-Phenyl-4H-1,2,4-triazol-4-ol (CAS 31409-47-9) 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.
4-hydroxy-3-phenyl-1,2,4-triazole
Also Known As: 3-Phenyl-4H-1,2,4-triazol-4-ol, 4-hydroxy-3-phenyl-1,2,4-triazole, 4-Hydroxy-3-phenyl-4H-1,2,4-triazole, 3-Phenyl-4H-1,2,4-triazol-4-ol #
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 31409-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=CN2O |
| InChIKey | ZKZDIHSYTZBNGV-UHFFFAOYSA-N |
Product Overview
3-Phenyl-4H-1,2,4-triazol-4-ol (CAS 31409-47-9), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 4-hydroxy-3-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-Phenyl-4H-1,2,4-triazol-4-ol
Property Insights of 3-Phenyl-4H-1,2,4-triazol-4-ol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-4H-1,2,4-triazol-4-ol. With a topological polar surface area (TPSA) of 50.9 Ų, 3-Phenyl-4H-1,2,4-triazol-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-4H-1,2,4-triazol-4-ol 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-Phenyl-4H-1,2,4-triazol-4-ol?
The CAS number of 3-Phenyl-4H-1,2,4-triazol-4-ol is 31409-47-9.
What is the molecular formula of 3-Phenyl-4H-1,2,4-triazol-4-ol?
The molecular formula of 3-Phenyl-4H-1,2,4-triazol-4-ol is C8H7N3O.
What is the molecular weight of 3-Phenyl-4H-1,2,4-triazol-4-ol?
The molecular weight of 3-Phenyl-4H-1,2,4-triazol-4-ol is 161.06 g/mol.
Where can I buy 3-Phenyl-4H-1,2,4-triazol-4-ol?
You can request a quote for 3-Phenyl-4H-1,2,4-triazol-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-4H-1,2,4-triazol-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-4H-1,2,4-triazol-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.