2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol
TL;DR: 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol (CAS 104308-71-6) is a chemical compound with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
Also Known As: 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol, 2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]phenol, BB 0221635, 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol, 2-[5-(4-Chloro-phenyl)-1H-[1,2,4]triazol-3-yl]- phenol
| Molecular Formula | C14H10ClN3O |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 3.4977 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05124 |
| Heavy Atoms | 19 |
| Complexity | 706.7202 |
Chemical Identifiers
| CAS Number | 104308-71-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=C(C=C3)Cl)O |
Product Overview
2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol (CAS 104308-71-6), with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol.
Chemical Property Profile of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol
Property Insights of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol
The XLogP value of 3.4977 indicates that 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol. Following Lipinski's Rule of Five, 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol has 2 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 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol?
The CAS number of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol is 104308-71-6.
What is the molecular formula of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol is C14H10ClN3O.
What is the molecular weight of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol is 271.05 g/mol.
Where can I buy 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(4-Chlorophenyl)-1H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.