(6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile
TL;DR: (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile (CAS 339008-33-2) 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-(3-methylphenyl)acetonitrile
Also Known As: 2-(6-chloropyridazin-3-yl)-2-(m-tolyl)acetonitrile, 2-(6-chloropyridazin-3-yl)-2-(3-methylphenyl)acetonitrile, 2-(6-chloro-3-pyridazinyl)-2-(3-methylphenyl)acetonitrile, 6-Chloro-alpha-(3-methylphenyl)-3-pyridazineacetonitrile, (6-Chloropyridazin-3-yl)(3-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 | 339008-33-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(C#N)C2=NN=C(C=C2)Cl |
Product Overview
(6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile (CAS 339008-33-2), with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol. IUPAC: 2-(6-chloropyridazin-3-yl)-2-(3-methylphenyl)acetonitrile.
Chemical Property Profile of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile
Property Insights of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile
The XLogP value of 3.0939 indicates that (6-Chloropyridazin-3-yl)(3-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, (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Chloropyridazin-3-yl)(3-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 (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile?
The CAS number of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile is 339008-33-2.
What is the molecular formula of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile?
The molecular formula of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile is C13H10ClN3.
What is the molecular weight of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile?
The molecular weight of (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile is 243.06 g/mol.
Where can I buy (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile?
You can request a quote for (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6-Chloropyridazin-3-yl)(3-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.