3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- (CAS 944-91-2) 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.
2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one
Also Known As: 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-, 5-26-04-00315 (Beilstein Handbook Reference), 2,4-Dihydro-2,4-dimethyl-5-phenyl-3H-1,2,4-triazol-3-one, 2,4-Dimethyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 944-91-2 |
|---|---|
| SMILES | CN1C(=NN(C1=O)C)C2=CC=CC=C2 |
| InChIKey | XNHJDSQIZMQBFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- (CAS 944-91-2), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one.
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-. With a topological polar surface area (TPSA) of 35.9 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- 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-phenyl- 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-phenyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- is 944-91-2.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- is C10H11N3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- is 189.09 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.