2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one
TL;DR: 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one (CAS 899753-37-8) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methyl]-6-(4-nitrophenyl)pyridazin-3-one
Also Known As: VU0497941-1, 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one, 2-[(2-methylphenyl)methyl]-6-(4-nitrophenyl)pyridazin-3-one, F2774-2085, 2-[(2-methylphenyl)methyl]-6-(4-nitrophenyl)-2,3-dihydropyridazin-3-one
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.17522 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 946.22284 |
Chemical Identifiers
| CAS Number | 899753-37-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one (CAS 899753-37-8), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: 2-[(2-methylphenyl)methyl]-6-(4-nitrophenyl)pyridazin-3-one.
Chemical Property Profile of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one
Property Insights of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one
The XLogP value of 3.17522 indicates that 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one. Following Lipinski's Rule of Five, 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one 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-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one?
The CAS number of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one is 899753-37-8.
What is the molecular formula of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one?
The molecular formula of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one is C18H15N3O3.
What is the molecular weight of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one?
The molecular weight of 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one is 321.11 g/mol.
Where can I buy 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one?
You can request a quote for 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methylbenzyl)-6-(4-nitrophenyl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.