2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol
TL;DR: 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol (CAS 74619-50-4) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
Also Known As: 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol, BAS 00633710, NCI60_030748, 3,5-bis(2-hydroxyphenyl)-1h-1,2,4-triazole, 3,5-Bis(2-hydroxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 74619-50-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=CC=C3O)O |
| InChIKey | HIZVPOSTRMNMOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol (CAS 74619-50-4), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]phenol.
Chemical Property Profile of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol
Property Insights of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol. Following Lipinski's Rule of Five, 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol has 3 hydrogen bond donor(s) and 4 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 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol?
The CAS number of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol is 74619-50-4.
What is the molecular formula of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol?
The molecular formula of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol is C14H11N3O2.
What is the molecular weight of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol?
The molecular weight of 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol is 253.09 g/mol.
Where can I buy 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol?
You can request a quote for 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(1H-1,2,4-triazole-3,5-diyl)diphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.