4-(1,2,4-Triazol-1-yl)phenol
TL;DR: 4-(1,2,4-Triazol-1-yl)phenol (CAS 68337-15-5) 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-(1,2,4-triazol-1-yl)phenol
Also Known As: 4-(1H-1,2,4-Triazol-1-yl)phenol, 4-(1,2,4-Triazol-1-yl)phenol, 4-TRP compound, Maybridge3_000133, 4- PHENOL
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 1.3 |
| 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 | 145.0 |
Chemical Identifiers
| CAS Number | 68337-15-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=NC=N2)O |
| InChIKey | ZOPIBCDDKMAEII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,2,4-Triazol-1-yl)phenol (CAS 68337-15-5), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 4-(1,2,4-triazol-1-yl)phenol.
Chemical Property Profile of 4-(1,2,4-Triazol-1-yl)phenol
Property Insights of 4-(1,2,4-Triazol-1-yl)phenol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,4-Triazol-1-yl)phenol. With a topological polar surface area (TPSA) of 50.9 Ų, 4-(1,2,4-Triazol-1-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2,4-Triazol-1-yl)phenol 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 4-(1,2,4-Triazol-1-yl)phenol?
The CAS number of 4-(1,2,4-Triazol-1-yl)phenol is 68337-15-5.
What is the molecular formula of 4-(1,2,4-Triazol-1-yl)phenol?
The molecular formula of 4-(1,2,4-Triazol-1-yl)phenol is C8H7N3O.
What is the molecular weight of 4-(1,2,4-Triazol-1-yl)phenol?
The molecular weight of 4-(1,2,4-Triazol-1-yl)phenol is 161.06 g/mol.
Where can I buy 4-(1,2,4-Triazol-1-yl)phenol?
You can request a quote for 4-(1,2,4-Triazol-1-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2,4-Triazol-1-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,4-Triazol-1-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.