1W-0959
TL;DR: 1W-0959 (CAS 861206-74-8) is a chemical compound with molecular formula C18H13F6N3O and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
Also Known As: 1W-0959, 5-methyl-2-[3-(trifluoromethyl)benzyl]-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-methyl-4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one, 5-methyl-4-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one, 5-methyl-4-[3-(trifluoromethyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazol-3-one
| Molecular Formula | C18H13F6N3O |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.42832 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.09628 |
| Heavy Atoms | 28 |
| Complexity | 1062.1584 |
Chemical Identifiers
| CAS Number | 861206-74-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
1W-0959 (CAS 861206-74-8), with molecular formula C18H13F6N3O and molecular weight 401.10 g/mol. IUPAC: 5-methyl-4-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0959
Property Insights of 1W-0959
The XLogP value of 4.42832 indicates that 1W-0959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 1W-0959 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0959 has 0 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 1W-0959?
The CAS number of 1W-0959 is 861206-74-8.
What is the molecular formula of 1W-0959?
The molecular formula of 1W-0959 is C18H13F6N3O.
What is the molecular weight of 1W-0959?
The molecular weight of 1W-0959 is 401.10 g/mol.
Where can I buy 1W-0959?
You can request a quote for 1W-0959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0959?
Yes, KEHONG BIO provides custom synthesis services for 1W-0959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.