![1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one structure](/static/products/4778/477847-95-3.webp)
1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one
TL;DR: 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one (CAS 477847-95-3) is a chemical compound with molecular formula C20H12F9N3O2 and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one
Also Known As: 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one, 10P-734, 1-{1-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-2-[3-(trifluoromethyl)phenoxy]-1-propanone, 1-{1-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-2-[3-(trifluoromethyl)phenoxy]propan-1-one
| Molecular Formula | C20H12F9N3O2 |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 5.9739 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.07858 |
| Heavy Atoms | 34 |
| Complexity | 1164.7256 |
Chemical Identifiers
| CAS Number | 477847-95-3 |
|---|---|
| SMILES | CC(C(=O)C1=CN(N=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one (CAS 477847-95-3), with molecular formula C20H12F9N3O2 and molecular weight 497.08 g/mol. IUPAC: 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one.
Chemical Property Profile of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one
Property Insights of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one
The XLogP value of 5.9739 indicates that 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one?
The CAS number of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one is 477847-95-3.
What is the molecular formula of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one?
The molecular formula of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one is C20H12F9N3O2.
What is the molecular weight of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one?
The molecular weight of 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one is 497.08 g/mol.
Where can I buy 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one?
You can request a quote for 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[3,5-bis(trifluoromethyl)phenyl]triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.