2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one
TL;DR: 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one (CAS 119115-42-3) is a chemical compound with molecular formula C9H13ClN2OS and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-chloro-5-methylsulfanylpyridazin-3-one
Also Known As: 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one, 2-tert-butyl-4-chloro-5-methylsulfanylpyridazin-3-one, AN-668/25093004, 2-tert-butyl-4-chloro-5-(methylsulfanyl)-2,3-dihydropyridazin-3-one, 2-tert-Butyl-4-chloro-5-(methylthio)pyridazin-3(2H)-one
| Molecular Formula | C9H13ClN2OS |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 2.3736 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.04372 |
| Heavy Atoms | 14 |
| Complexity | 394.77893 |
Chemical Identifiers
| CAS Number | 119115-42-3 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C(=C(C=N1)SC)Cl |
Product Overview
2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one (CAS 119115-42-3), with molecular formula C9H13ClN2OS and molecular weight 232.04 g/mol. IUPAC: 2-tert-butyl-4-chloro-5-methylsulfanylpyridazin-3-one.
Chemical Property Profile of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one
Property Insights of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one
The XLogP value of 2.3736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one. With a topological polar surface area (TPSA) of 34.89 Ų, 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one 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 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one?
The CAS number of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one is 119115-42-3.
What is the molecular formula of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one?
The molecular formula of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one is C9H13ClN2OS.
What is the molecular weight of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one?
The molecular weight of 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one is 232.04 g/mol.
Where can I buy 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one?
You can request a quote for 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-4-chloro-5-(methylsulfanyl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.