3,5-Diphenyl-1H-1,2,4-triazole
TL;DR: 3,5-Diphenyl-1H-1,2,4-triazole (CAS 2039-06-7) is a chemical compound with molecular formula C14H11N3 and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diphenyl-1H-1,2,4-triazole
Also Known As: 3,5-Diphenyl-4H-1,2,4-triazole, 3,5-Diphenyl-1H-1,2,4-triazole, 3,5-Diphenyl-s-triazole, s-Triazole, 3,5-diphenyl-, 3,5-Diphenyl-1,2,4-triazole
| Molecular Formula | C14H11N3 |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.09529 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2039-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3 |
| InChIKey | KPKQWXGFEKRQQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diphenyl-1H-1,2,4-triazole (CAS 2039-06-7), with molecular formula C14H11N3 and molecular weight 221.10 g/mol. IUPAC: 3,5-diphenyl-1H-1,2,4-triazole.
Chemical Property Profile of 3,5-Diphenyl-1H-1,2,4-triazole
Property Insights of 3,5-Diphenyl-1H-1,2,4-triazole
The XLogP value of 3.3 indicates that 3,5-Diphenyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 3,5-Diphenyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diphenyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 2 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 3,5-Diphenyl-1H-1,2,4-triazole?
The CAS number of 3,5-Diphenyl-1H-1,2,4-triazole is 2039-06-7.
What is the molecular formula of 3,5-Diphenyl-1H-1,2,4-triazole?
The molecular formula of 3,5-Diphenyl-1H-1,2,4-triazole is C14H11N3.
What is the molecular weight of 3,5-Diphenyl-1H-1,2,4-triazole?
The molecular weight of 3,5-Diphenyl-1H-1,2,4-triazole is 221.10 g/mol.
Where can I buy 3,5-Diphenyl-1H-1,2,4-triazole?
You can request a quote for 3,5-Diphenyl-1H-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 3,5-Diphenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diphenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.