![2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/860/860784-96-9.png)
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-96-9) is a chemical compound with molecular formula C15H9ClF4N4O and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C15H9ClF4N4O |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 3.53792 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.0401 |
| Heavy Atoms | 25 |
| Complexity | 992.24646 |
Chemical Identifiers
| CAS Number | 860784-96-9 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-96-9), with molecular formula C15H9ClF4N4O and molecular weight 372.04 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.53792 indicates that 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 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 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 860784-96-9.
What is the molecular formula of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C15H9ClF4N4O.
What is the molecular weight of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 372.04 g/mol.
Where can I buy 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.