4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone
TL;DR: 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone (CAS 5557-48-2) is a chemical compound with molecular formula C18H15ClN2O2S and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-2-phenylpyridazin-3-one
Also Known As: 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone, 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenylpyridazin-3(2H)-one, 3(2H)-PYRIDAZINONE, 4-((P-CHLOROBENZYL)THIO)-5-METHOXY-2-PHENYL-, 4-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-2-phenyl-pyridazin-3-one, 4-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-2-phenylpyridazin-3-one
| Molecular Formula | C18H15ClN2O2S |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0543 |
| Heavy Atoms | 24 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 5557-48-2 |
|---|---|
| SMILES | COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl |
| InChIKey | BMFALLFAWFJQMK-UHFFFAOYSA-N |
Product Overview
4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone (CAS 5557-48-2), with molecular formula C18H15ClN2O2S and molecular weight 358.05 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-2-phenylpyridazin-3-one.
Chemical Property Profile of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone
Property Insights of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone
The XLogP value of 4.1 indicates that 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone 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 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone?
The CAS number of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone is 5557-48-2.
What is the molecular formula of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone?
The molecular formula of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone is C18H15ClN2O2S.
What is the molecular weight of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone?
The molecular weight of 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone is 358.05 g/mol.
Where can I buy 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone?
You can request a quote for 4-((4-Chlorobenzyl)thio)-5-methoxy-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-methoxy-2-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorobenzyl)thio)-5-methoxy-2-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.