6N-087
TL;DR: 6N-087 (CAS 343373-52-4) is a chemical compound with molecular formula C17H11F6N3O2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(trifluoromethoxy)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
Also Known As: 6N-087, 4-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[4-(trifluoromethoxy)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one, 4-[4-(trifluoromethoxy)phenyl]-1-{[4-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H11F6N3O2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 3.9997 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.07553 |
| Heavy Atoms | 28 |
| Complexity | 1001.6025 |
Chemical Identifiers
| CAS Number | 343373-52-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)N(C=N2)C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F |
Product Overview
6N-087 (CAS 343373-52-4), with molecular formula C17H11F6N3O2 and molecular weight 403.08 g/mol. IUPAC: 4-[4-(trifluoromethoxy)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 6N-087
Property Insights of 6N-087
The XLogP value of 3.9997 indicates that 6N-087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.05 Ų, 6N-087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6N-087 has 0 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 6N-087?
The CAS number of 6N-087 is 343373-52-4.
What is the molecular formula of 6N-087?
The molecular formula of 6N-087 is C17H11F6N3O2.
What is the molecular weight of 6N-087?
The molecular weight of 6N-087 is 403.08 g/mol.
Where can I buy 6N-087?
You can request a quote for 6N-087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-087?
Yes, KEHONG BIO provides custom synthesis services for 6N-087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.