2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
TL;DR: 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile (CAS 338779-01-4) is a chemical compound with molecular formula C12H7Cl2N3O and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile
Also Known As: 2-(2,4-dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile, 2-(2,4-dichlorophenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile, 2-(2,4-dichlorophenyl)-2-(6-hydroxypyridazin-3-yl)acetonitrile
| Molecular Formula | C12H7Cl2N3O |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 2.73218 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.9966 |
| Heavy Atoms | 18 |
| Complexity | 655.2581 |
Chemical Identifiers
| CAS Number | 338779-01-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(C#N)C2=NNC(=O)C=C2 |
Product Overview
2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile (CAS 338779-01-4), with molecular formula C12H7Cl2N3O and molecular weight 279.00 g/mol. IUPAC: 2-(2,4-dichlorophenyl)-2-(6-oxo-1H-pyridazin-3-yl)acetonitrile.
Chemical Property Profile of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
Property Insights of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
The XLogP value of 2.73218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile 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 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile?
The CAS number of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile is 338779-01-4.
What is the molecular formula of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile?
The molecular formula of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile is C12H7Cl2N3O.
What is the molecular weight of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile?
The molecular weight of 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile is 279.00 g/mol.
Where can I buy 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile?
You can request a quote for 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.