3-hydroxy-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS 28230-32-2) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-1,2,3-benzotriazin-4-one
Also Known As: 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one, HOOBT, HODHBT, 3-hydroxy-1,2,3-benzotriazin-4-one, DHBT
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 28230-32-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)O |
| InChIKey | HJBLUNHMOKFZQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS 28230-32-2), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 3-hydroxy-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-1,2,3-benzotriazin-4(3H)-one. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-hydroxy-1,2,3-benzotriazin-4(3H)-one has 1 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 3-hydroxy-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one is 28230-32-2.
What is the molecular formula of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one is C7H5N3O2.
What is the molecular weight of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-hydroxy-1,2,3-benzotriazin-4(3H)-one is 163.04 g/mol.
Where can I buy 3-hydroxy-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-hydroxy-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.