![4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide structure](/static/products/3048/304870-60-8.webp)
4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide
TL;DR: 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide (CAS 304870-60-8) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one
Also Known As: BAS 00318793, 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one, 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-1,2,3-benzotriazol-1-ium-1-olate, 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide, 2-phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one 1-oxide
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.0247 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 574.9367 |
Chemical Identifiers
| CAS Number | 304870-60-8 |
|---|---|
| SMILES | C1CC2=[N+](N(N=C2C(=O)C1)C3=CC=CC=C3)[O-] |
Product Overview
4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide (CAS 304870-60-8), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one.
Chemical Property Profile of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide
Property Insights of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide
The XLogP value of 1.0247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide. Following Lipinski's Rule of Five, 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide has 0 hydrogen bond donor(s) and 3 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-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide?
The CAS number of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide is 304870-60-8.
What is the molecular formula of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide?
The molecular formula of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide is C12H11N3O2.
What is the molecular weight of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide?
The molecular weight of 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide is 229.09 g/mol.
Where can I buy 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide?
You can request a quote for 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-2-phenyl-4,5,6,7-tetrahydro-2H-benzo[d][1,2,3]triazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.