3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- (CAS 116114-16-0) is a chemical compound with molecular formula C10H10FN3O and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-2,4-dimethyl-1,2,4-triazol-3-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-, 2,4-Dihydro-2,4-dimethyl-5-(4-fluorophenyl)-3H-1,2,4-triazol-3-one, 5-(4-fluorophenyl)-2,4-dimethyl-1,2,4-triazol-3-one, 2,4-Dimethyl-5-(4-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one, 3-(4-fluorophenyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C10H10FN3O |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 0.9249 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.0808 |
| Heavy Atoms | 15 |
| Complexity | 538.7854 |
Chemical Identifiers
| CAS Number | 116114-16-0 |
|---|---|
| SMILES | CN1C(=NN(C1=O)C)C2=CC=C(C=C2)F |
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- (CAS 116114-16-0), with molecular formula C10H10FN3O and molecular weight 207.08 g/mol. IUPAC: 5-(4-fluorophenyl)-2,4-dimethyl-1,2,4-triazol-3-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-
The XLogP value of 0.9249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-. With a topological polar surface area (TPSA) of 39.82 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- 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-2,4-dimethyl-5-(4-fluorophenyl)- 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 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- is 116114-16-0.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- is C10H10FN3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- is 207.08 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- 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-2,4-dimethyl-5-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.