![3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid structure](/static/products/5811/58112-61-1.webp)
3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid
TL;DR: 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid (CAS 58112-61-1) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
Also Known As: 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid, 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid, 3-[3-(4-methylphenyl)-6-oxo-pyridazin-1-yl]propanoic Acid, 3-(3-(4-METHYLPHENYL)-6-OXO-1(6H)-PYRIDAZINYL)PROPANOIC ACID
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.69342 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 644.4858 |
Chemical Identifiers
| CAS Number | 58112-61-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)O |
Product Overview
3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid (CAS 58112-61-1), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid
Property Insights of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid
The XLogP value of 1.69342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic 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 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid?
The CAS number of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid is 58112-61-1.
What is the molecular formula of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid?
The molecular formula of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid is C14H14N2O3.
What is the molecular weight of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid?
The molecular weight of 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid is 258.10 g/mol.
Where can I buy 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid?
You can request a quote for 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic 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-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.