1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid
TL;DR: 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid (CAS 733030-85-8) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Also Known As: 1-(2,5-dimethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid, 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic Acid, 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid, 1-(2,5-dimethylphenyl)-6-oxo-1,4,5-trihydropyridazine-3-carboxylic acid, 1-(2,5-Dimethyl-phenyl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.87084 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 549.16736 |
Chemical Identifiers
| CAS Number | 733030-85-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)O |
Product Overview
1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid (CAS 733030-85-8), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
Chemical Property Profile of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid
Property Insights of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid
The XLogP value of 1.87084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid. Following Lipinski's Rule of Five, 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid has 1 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 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid?
The CAS number of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid is 733030-85-8.
What is the molecular formula of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid?
The molecular formula of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid is C13H14N2O3.
What is the molecular weight of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid?
The molecular weight of 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid is 246.10 g/mol.
Where can I buy 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid?
You can request a quote for 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dimethylphenyl)-1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.