2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile
TL;DR: 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile (CAS 923092-03-9) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetonitrile
Also Known As: 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile, 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetonitrile, 2-[3-(2-methylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetonitrile, F2774-3161
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 1.7423 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 637.5982 |
Chemical Identifiers
| CAS Number | 923092-03-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC#N |
Product Overview
2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile (CAS 923092-03-9), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetonitrile.
Chemical Property Profile of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile
Property Insights of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile
The XLogP value of 1.7423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile has 0 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 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile?
The CAS number of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile is 923092-03-9.
What is the molecular formula of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile?
The molecular formula of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile is C13H11N3O.
What is the molecular weight of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile?
The molecular weight of 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile is 225.09 g/mol.
Where can I buy 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile?
You can request a quote for 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-oxo-3-(o-tolyl)pyridazin-1(6H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.