4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone
TL;DR: 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone (CAS 3707-97-9) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one
Also Known As: pyridazinone, 2-4, 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone, AB00082470-01, 4-chloro-5-methylsulfanyl-2-phenyl-2H-pyridazin-3-one, 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 3707-97-9 |
|---|---|
| SMILES | CSC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl |
| InChIKey | CZLNRHWNIFQJHA-UHFFFAOYSA-N |
Product Overview
4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone (CAS 3707-97-9), with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol. IUPAC: 4-chloro-5-methylsulfanyl-2-phenylpyridazin-3-one.
Chemical Property Profile of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone
Property Insights of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 58.0 Ų, 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone has 0 hydrogen bond donor(s) and 3 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-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone?
The CAS number of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone is 3707-97-9.
What is the molecular formula of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone?
The molecular formula of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone is C11H9ClN2OS.
What is the molecular weight of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone?
The molecular weight of 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone is 252.01 g/mol.
Where can I buy 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone?
You can request a quote for 4-chloro-5-(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-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-5-(methylthio)-2-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.