1W-0955
TL;DR: 1W-0955 (CAS 861206-70-4) is a chemical compound with molecular formula C17H14F3N3O and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Also Known As: 1W-0955, 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one, 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H14F3N3O |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.40952 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1089 |
| Heavy Atoms | 24 |
| Complexity | 910.8205 |
Chemical Identifiers
| CAS Number | 861206-70-4 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3 |
Product Overview
1W-0955 (CAS 861206-70-4), with molecular formula C17H14F3N3O and molecular weight 333.11 g/mol. IUPAC: 2-benzyl-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0955
Property Insights of 1W-0955
The XLogP value of 3.40952 indicates that 1W-0955 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-0955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0955 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-0955?
The CAS number of 1W-0955 is 861206-70-4.
What is the molecular formula of 1W-0955?
The molecular formula of 1W-0955 is C17H14F3N3O.
What is the molecular weight of 1W-0955?
The molecular weight of 1W-0955 is 333.11 g/mol.
Where can I buy 1W-0955?
You can request a quote for 1W-0955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0955?
Yes, KEHONG BIO provides custom synthesis services for 1W-0955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.