3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile
TL;DR: 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile (CAS 124420-27-5) is a chemical compound with molecular formula C9H9Cl2N3 and molecular weight 229.01735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,6-dichloropyridazin-4-yl)-3-methylbutanenitrile
Also Known As: 3-(3,6-dichloropyridazin-4-yl)-3-methylbutanenitrile, 3-(3,6-dichloropyridazin-4-yl)-3-methyl-butanenitrile
Technical Specifications
| Molecular Formula | C9H9Cl2N3 |
| Molecular Weight | 229.01735 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.01735 Da |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
| SMILES | CC(C)(CC#N)C1=CC(=NN=C1Cl)Cl |
| InChIKey | NMCOOTRWHCXWTJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile
Property Insights of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile 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
What is the CAS number of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile?
The CAS number of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile is 124420-27-5.
What is the molecular formula of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile?
The molecular formula of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile is C9H9Cl2N3.
What is the molecular weight of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile?
The molecular weight of 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile is 229.01735 g/mol.
Where can I buy 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile?
You can request a quote for 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3,6-Dichloropyridazin-4-yl)-3-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.