3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid
TL;DR: 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid (CAS 501649-79-2) is a chemical compound with molecular formula C11H6Cl2N2O3 and molecular weight 283.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid
Also Known As: 3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzoic acid, 3-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid, 3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid, 3-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzoic acid, 3-(4,5-dichloro-6-oxohydropyridazinyl)benzoic acid
| Molecular Formula | C11H6Cl2N2O3 |
|---|---|
| Molecular Weight | 283.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.97556 |
| Heavy Atoms | 18 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 501649-79-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)Cl)Cl)C(=O)O |
| InChIKey | UCDIWDQNHGPZLN-UHFFFAOYSA-N |
Product Overview
3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid (CAS 501649-79-2), with molecular formula C11H6Cl2N2O3 and molecular weight 283.98 g/mol. IUPAC: 3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid.
Chemical Property Profile of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid
Property Insights of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid 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-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid?
The CAS number of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid is 501649-79-2.
What is the molecular formula of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid?
The molecular formula of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid is C11H6Cl2N2O3.
What is the molecular weight of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid?
The molecular weight of 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid is 283.98 g/mol.
Where can I buy 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid?
You can request a quote for 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-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-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.