(2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate
TL;DR: (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate (CAS 124420-31-1) is a chemical compound with molecular formula C15H14Cl2N2O2 and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] benzoate
Also Known As: (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate, [2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] benzoate, [2-(3,6-dichloropyridazin-4-yl)-2-methyl-propyl] Benzoate, 2-(3,6-DICHLOROPYRIDAZIN-4-YL)-2-METHYLPROPYL BENZOATE
| Molecular Formula | C15H14Cl2N2O2 |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.04324 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 124420-31-1 |
|---|---|
| SMILES | CC(C)(COC(=O)C1=CC=CC=C1)C2=CC(=NN=C2Cl)Cl |
| InChIKey | AVWJRULPJMRQQW-UHFFFAOYSA-N |
Product Overview
(2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate (CAS 124420-31-1), with molecular formula C15H14Cl2N2O2 and molecular weight 324.04 g/mol. IUPAC: [2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] benzoate.
Chemical Property Profile of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate
Property Insights of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate
The XLogP value of 4.5 indicates that (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate has 0 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-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate?
The CAS number of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate is 124420-31-1.
What is the molecular formula of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate?
The molecular formula of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate is C15H14Cl2N2O2.
What is the molecular weight of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate?
The molecular weight of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate is 324.04 g/mol.
Where can I buy (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate?
You can request a quote for (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.