2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
TL;DR: 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one (CAS 899752-67-1) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one
Also Known As: EiM08-15717, 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one, VU0497713-1, 2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one, F2773-0207
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.9283 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 854.49414 |
Chemical Identifiers
| CAS Number | 899752-67-1 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one (CAS 899752-67-1), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]-6-thiophen-2-ylpyridazin-3-one.
Chemical Property Profile of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
Property Insights of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one
The XLogP value of 2.9283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one. Following Lipinski's Rule of Five, 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one has 0 hydrogen bond donor(s) and 5 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-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one?
The CAS number of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one is 899752-67-1.
What is the molecular formula of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one?
The molecular formula of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one is C15H11N3O3S.
What is the molecular weight of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one?
The molecular weight of 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one is 313.05 g/mol.
Where can I buy 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one?
You can request a quote for 2-(4-nitrobenzyl)-6-(thiophen-2-yl)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-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrobenzyl)-6-(thiophen-2-yl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.