3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- (CAS 117258-19-2) is a chemical compound with molecular formula C9H8FN3O and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazol-5-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-, 2,4-Dihydro-5-(2-fluorophenyl)-4-methyl-3H-1,2,4-triazol-3-one, 3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazol-5-one, 4-Methyl-5-(2-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one, 3-(2-fluorophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C9H8FN3O |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.9145 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.06514 |
| Heavy Atoms | 14 |
| Complexity | 514.77075 |
Chemical Identifiers
| CAS Number | 117258-19-2 |
|---|---|
| SMILES | CN1C(=NNC1=O)C2=CC=CC=C2F |
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- (CAS 117258-19-2), with molecular formula C9H8FN3O and molecular weight 193.07 g/mol. IUPAC: 3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-
The XLogP value of 0.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-. With a topological polar surface area (TPSA) of 50.68 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- has 1 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 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- is 117258-19-2.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- is C9H8FN3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- is 193.07 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-fluorophenyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.