2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile
TL;DR: 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile (CAS 339023-60-8) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile
Also Known As: 3,5,7-Tris-morpholinomethyl-tropolon, 2-(6-chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile, 8E-014, 2-(6-Chloropyridazin-3-yl)-2-(o-tolyl)acetonitrile, 2-(6-chloro-3-pyridazinyl)-2-(2-methylphenyl)acetonitrile
| Molecular Formula | C13H10ClN3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 3.0939 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05632 |
| Heavy Atoms | 17 |
| Complexity | 557.62244 |
Chemical Identifiers
| CAS Number | 339023-60-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C#N)C2=NN=C(C=C2)Cl |
Product Overview
2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile (CAS 339023-60-8), with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol. IUPAC: 2-(6-chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile.
Chemical Property Profile of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile
Property Insights of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile
The XLogP value of 3.0939 indicates that 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)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-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile?
The CAS number of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile is 339023-60-8.
What is the molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile?
The molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile is C13H10ClN3.
What is the molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile?
The molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile is 243.06 g/mol.
Where can I buy 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile?
You can request a quote for 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)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-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloropyridazin-3-yl)-2-(2-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.