(6-oxo-1H-pyridazin-3-yl) benzoate
TL;DR: (6-oxo-1H-pyridazin-3-yl) benzoate (CAS 2797-52-6) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-1H-pyridazin-3-yl) benzoate
Also Known As: (6-oxo-1H-pyridazin-3-yl) benzoate, 6-oxo-1,6-dihydropyridazin-3-yl benzoate
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 2797-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=NNC(=O)C=C2 |
| InChIKey | UPUADOKDIBPKQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-oxo-1H-pyridazin-3-yl) benzoate (CAS 2797-52-6), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: (6-oxo-1H-pyridazin-3-yl) benzoate.
Chemical Property Profile of (6-oxo-1H-pyridazin-3-yl) benzoate
Property Insights of (6-oxo-1H-pyridazin-3-yl) benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-oxo-1H-pyridazin-3-yl) benzoate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-oxo-1H-pyridazin-3-yl) benzoate. Following Lipinski's Rule of Five, (6-oxo-1H-pyridazin-3-yl) benzoate 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 (6-oxo-1H-pyridazin-3-yl) benzoate?
The CAS number of (6-oxo-1H-pyridazin-3-yl) benzoate is 2797-52-6.
What is the molecular formula of (6-oxo-1H-pyridazin-3-yl) benzoate?
The molecular formula of (6-oxo-1H-pyridazin-3-yl) benzoate is C11H8N2O3.
What is the molecular weight of (6-oxo-1H-pyridazin-3-yl) benzoate?
The molecular weight of (6-oxo-1H-pyridazin-3-yl) benzoate is 216.05 g/mol.
Where can I buy (6-oxo-1H-pyridazin-3-yl) benzoate?
You can request a quote for (6-oxo-1H-pyridazin-3-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-oxo-1H-pyridazin-3-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-oxo-1H-pyridazin-3-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.