4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
TL;DR: 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole (CAS 77896-41-4) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxido-2-phenyltriazol-1-ium
Also Known As: 4-methyl-1-oxido-2-phenyltriazol-1-ium, 4-Methyl-2-phenyl-2H-1,2,3-triazole 1-oxide, 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole, 4-methyl-2-phenyl-2h-[1,2,3]triazole 1-oxide, 4-methyl-2-phenyl-2H-1,2,3-triazol-1-ium-1-olate
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 77896-41-4 |
|---|---|
| SMILES | CC1=NN([N+](=C1)[O-])C2=CC=CC=C2 |
| InChIKey | RHDDSMYWBSVLBS-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole (CAS 77896-41-4), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 4-methyl-1-oxido-2-phenyltriazol-1-ium.
Chemical Property Profile of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
Property Insights of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole. With a topological polar surface area (TPSA) of 43.3 Ų, 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole 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 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The CAS number of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is 77896-41-4.
What is the molecular formula of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The molecular formula of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is C9H9N3O.
What is the molecular weight of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
The molecular weight of 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole is 175.07 g/mol.
Where can I buy 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
You can request a quote for 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-oxo-2-phenyl-2H-1lambda~5~,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.