2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one
TL;DR: 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one (CAS 899740-31-9) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
Also Known As: VU0498043-1, F2774-3431, 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one, 2-[(3-nitrophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one, 2-[(3-nitrophenyl)methyl]-6-(2,4,5-trimethylphenyl)-2,3-dihydropyridazin-3-one
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.79206 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 1054.4073 |
Chemical Identifiers
| CAS Number | 899740-31-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one (CAS 899740-31-9), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: 2-[(3-nitrophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one.
Chemical Property Profile of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one
Property Insights of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one
The XLogP value of 3.79206 indicates that 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)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-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one. Following Lipinski's Rule of Five, 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)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-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one?
The CAS number of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one is 899740-31-9.
What is the molecular formula of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one?
The molecular formula of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one is C20H19N3O3.
What is the molecular weight of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one?
The molecular weight of 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one is 349.14 g/mol.
Where can I buy 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one?
You can request a quote for 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)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-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrobenzyl)-6-(2,4,5-trimethylphenyl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.