2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
TL;DR: 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one (CAS 5129-81-7) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetylphenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one
Also Known As: BAS 02098932, AN-919/14383020, 2-(4-acetylphenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one, 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one, 1-acetyl-4-(1-hydroxy-3-oxo(4H-benzo[e]1,2,4-triazin-2-yl))benzene
| Molecular Formula | C15H13N3O3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0957 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 5129-81-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3N2O |
| InChIKey | NLGZZKYCXBQTMV-UHFFFAOYSA-N |
Product Overview
2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one (CAS 5129-81-7), with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol. IUPAC: 2-(4-acetylphenyl)-1-hydroxy-4H-1,2,4-benzotriazin-3-one.
Chemical Property Profile of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Property Insights of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one. Following Lipinski's Rule of Five, 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one has 2 hydrogen bond donor(s) and 4 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-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one?
The CAS number of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one is 5129-81-7.
What is the molecular formula of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one?
The molecular formula of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one is C15H13N3O3.
What is the molecular weight of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one?
The molecular weight of 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one is 283.10 g/mol.
Where can I buy 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one?
You can request a quote for 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetylphenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.