2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
TL;DR: 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one (CAS 860786-31-8) is a chemical compound with molecular formula C16H14FN3O and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 2-benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one, 1-benzyl-4-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 12T-0250, 2-benzyl-4-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C16H14FN3O |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.52982 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.1121 |
| Heavy Atoms | 21 |
| Complexity | 821.0385 |
Chemical Identifiers
| CAS Number | 860786-31-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC3=CC=CC=C3 |
Product Overview
2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one (CAS 860786-31-8), with molecular formula C16H14FN3O and molecular weight 283.11 g/mol. IUPAC: 2-benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
Property Insights of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
The XLogP value of 2.52982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 39.82 Ų, 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one 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 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one?
The CAS number of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one is 860786-31-8.
What is the molecular formula of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one?
The molecular formula of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one is C16H14FN3O.
What is the molecular weight of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one?
The molecular weight of 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one is 283.11 g/mol.
Where can I buy 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one?
You can request a quote for 2-Benzyl-4-(3-fluorophenyl)-5-methyl-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-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-(3-fluorophenyl)-5-methyl-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.