4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone
TL;DR: 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone (CAS 3042-87-3) is a chemical compound with molecular formula C12H12N2OS2 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(methylsulfanyl)-2-phenylpyridazin-3-one
Also Known As: 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone, 4,5-bis-methylsulfanyl-2-phenyl-2H-pyridazin-3-one, 4,5-bis(methylsulfanyl)-2-phenylpyridazin-3-one, Cambridge id 5357980
| Molecular Formula | C12H12N2OS2 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 2.6763 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0391 |
| Heavy Atoms | 17 |
| Complexity | 566.46344 |
Chemical Identifiers
| CAS Number | 3042-87-3 |
|---|---|
| SMILES | CSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SC |
Product Overview
4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone (CAS 3042-87-3), with molecular formula C12H12N2OS2 and molecular weight 264.04 g/mol. IUPAC: 4,5-bis(methylsulfanyl)-2-phenylpyridazin-3-one.
Chemical Property Profile of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone
Property Insights of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone
The XLogP value of 2.6763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 34.89 Ų, 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-bis(methylthio)-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 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone?
The CAS number of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone is 3042-87-3.
What is the molecular formula of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone?
The molecular formula of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone is C12H12N2OS2.
What is the molecular weight of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone?
The molecular weight of 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone is 264.04 g/mol.
Where can I buy 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone?
You can request a quote for 4,5-bis(methylthio)-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 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-bis(methylthio)-2-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.