3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid
TL;DR: 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid (CAS 87565-86-4) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,6-dioxo-1H-pyridazin-2-yl)benzoic acid
Also Known As: 3-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid, 3-(3,6-dioxo-1H-pyridazin-2-yl)benzoic acid, 3-(3-hydroxy-6-oxopyridazin-1-yl)benzoic acid, 3-(3-Hydroxy-6-oxo-1(6H)-pyridazinyl)benzoic acid, 3-(3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)benzoic acid
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 0.224 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 684.111 |
Chemical Identifiers
| CAS Number | 87565-86-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C=CC(=O)N2)C(=O)O |
Product Overview
3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid (CAS 87565-86-4), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 3-(3,6-dioxo-1H-pyridazin-2-yl)benzoic acid.
Chemical Property Profile of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid
Property Insights of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid
The XLogP value of 0.224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid has 2 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 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid?
The CAS number of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid is 87565-86-4.
What is the molecular formula of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid?
The molecular formula of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid is C11H8N2O4.
What is the molecular weight of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid?
The molecular weight of 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid is 232.05 g/mol.
Where can I buy 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid?
You can request a quote for 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.