4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one
TL;DR: 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one (CAS 5509-77-3) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one
Also Known As: 4-benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one, AP-786/42299969, 4-(benzylsulfanyl)-5-methoxy-2-phenyl-3(2H)-pyridazinone, 4-(Benzylsulfanyl)-5-methoxy-2-phenylpyridazin-3(2H)-one
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 5509-77-3 |
|---|---|
| SMILES | COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC=CC=C3 |
| InChIKey | MDIKIOJMXUUTPJ-UHFFFAOYSA-N |
Product Overview
4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one (CAS 5509-77-3), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 4-benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one.
Chemical Property Profile of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one
Property Insights of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one
The XLogP value of 3.4 indicates that 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one 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-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one. Following Lipinski's Rule of Five, 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-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 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one?
The CAS number of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one is 5509-77-3.
What is the molecular formula of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one?
The molecular formula of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one is C18H16N2O2S.
What is the molecular weight of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one?
The molecular weight of 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one is 324.09 g/mol.
Where can I buy 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one?
You can request a quote for 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylsulfanyl-5-methoxy-2-phenylpyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.