2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 944-47-8) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-phenyl-1,2,4-triazol-3-one
Also Known As: 2,5-dimethyl-4-phenyl-1,2,4-triazol-3-one, 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1,3-dimethyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 0.87942 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 495.8308 |
Chemical Identifiers
| CAS Number | 944-47-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC=C2)C |
Product Overview
2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 944-47-8), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 2,5-dimethyl-4-phenyl-1,2,4-triazol-3-one.
Chemical Property Profile of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 0.87942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 39.82 Ų, 2,5-dimethyl-4-phenyl-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, 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-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 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 944-47-8.
What is the molecular formula of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C10H11N3O.
What is the molecular weight of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 189.09 g/mol.
Where can I buy 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 2,5-dimethyl-4-phenyl-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 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.