4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid
TL;DR: 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid (CAS 6307-22-8) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzoic acid
Also Known As: 4-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid, ASN 05162553, 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzoic acid, (5-chloro-2-methoxyphenyl)hydrazine,hydrochloride, 4-(3-Methyl-6-oxo-5,6-dihydro-4H-pyridazin-1-yl)-benzoic acid
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 6307-22-8 |
|---|---|
| SMILES | CC1=NN(C(=O)CC1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | FIRIFVVVVQIBLD-UHFFFAOYSA-N |
Product Overview
4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid (CAS 6307-22-8), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 4-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzoic acid.
Chemical Property Profile of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid
Property Insights of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-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 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid?
The CAS number of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid is 6307-22-8.
What is the molecular formula of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid?
The molecular formula of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid is C12H12N2O3.
What is the molecular weight of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid?
The molecular weight of 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid is 232.08 g/mol.
Where can I buy 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid?
You can request a quote for 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-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 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-6-oxo-5,6-dihydropyridazin-1(4h)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.