2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile
TL;DR: 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile (CAS 338752-91-3) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile
Also Known As: 2-(6-hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile, 2-(6-hydroxypyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile, 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.43398 |
| Topological Polar Surface Area | 78.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 605.42487 |
Chemical Identifiers
| CAS Number | 338752-91-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)C2=NNC(=O)C=C2 |
Product Overview
2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile (CAS 338752-91-3), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile.
Chemical Property Profile of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile
Property Insights of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile
The XLogP value of 1.43398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile. The TPSA of 78.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile 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 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile?
The CAS number of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile is 338752-91-3.
What is the molecular formula of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile?
The molecular formula of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile is C13H11N3O2.
What is the molecular weight of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile?
The molecular weight of 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile is 241.09 g/mol.
Where can I buy 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile?
You can request a quote for 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)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-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Hydroxy-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.