![5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole structure](/static/products/4000/400079-89-2.webp)
5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole
TL;DR: 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole (CAS 400079-89-2) is a chemical compound with molecular formula C18H13F6N3O2 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1,2,4-triazole
Also Known As: 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole, 3B-014, 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1,2,4-triazole
| Molecular Formula | C18H13F6N3O2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.8165 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0912 |
| Heavy Atoms | 29 |
| Complexity | 954.2206 |
Chemical Identifiers
| CAS Number | 400079-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC=N2)C3=C(C=CC(=C3)OCC(F)(F)F)OCC(F)(F)F |
Product Overview
5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole (CAS 400079-89-2), with molecular formula C18H13F6N3O2 and molecular weight 417.09 g/mol. IUPAC: 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1,2,4-triazole.
Chemical Property Profile of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole
Property Insights of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole
The XLogP value of 4.8165 indicates that 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-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 49.17 Ų, 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole has 0 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 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole?
The CAS number of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole is 400079-89-2.
What is the molecular formula of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole?
The molecular formula of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole is C18H13F6N3O2.
What is the molecular weight of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole?
The molecular weight of 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole is 417.09 g/mol.
Where can I buy 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole?
You can request a quote for 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-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 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-phenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.