4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone
TL;DR: 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone (CAS 5589-89-9) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-5-morpholin-4-yl-2-phenylpyridazin-3-one
Also Known As: Miraxanthin III, 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone, AM-944/40947741, 4-((4-Chlorobenzyl)thio)-5-morpholino-2-phenylpyridazin-3(2H)-one, 3(2H)-PYRIDAZINONE, 4-((P-CHLOROBENZYL)THIO)-5-MORPHOLINO-2-PHENYL-
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 5589-89-9 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl |
| InChIKey | QOROKUXWXWMEJW-UHFFFAOYSA-N |
Product Overview
4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone (CAS 5589-89-9), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-5-morpholin-4-yl-2-phenylpyridazin-3-one.
Chemical Property Profile of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone
Property Insights of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone
The XLogP value of 3.8 indicates that 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone 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 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone?
The CAS number of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone is 5589-89-9.
What is the molecular formula of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone?
The molecular formula of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone is C21H20ClN3O2S.
What is the molecular weight of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone?
The molecular weight of 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone is 413.10 g/mol.
Where can I buy 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone?
You can request a quote for 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorobenzyl)thio)-5-(4-morpholinyl)-2-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.