5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one
TL;DR: 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one (CAS 23469-38-7) is a chemical compound with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-4-chloro-2-methylpyridazin-3-one
Also Known As: Maybridge4_000248, IDI1_030830, 5-benzylsulfanyl-4-chloro-2-methylpyridazin-3-one, 5-benzylsulfanyl-4-chloro-2-methyl-2H-pyridazin-3-one, 5-benzylthio-4-chloro-2-methylpyridazin-3(2H)-one
| Molecular Formula | C12H11ClN2OS |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 2.726 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.02808 |
| Heavy Atoms | 17 |
| Complexity | 568.46344 |
Chemical Identifiers
| CAS Number | 23469-38-7 |
|---|---|
| SMILES | CN1C(=O)C(=C(C=N1)SCC2=CC=CC=C2)Cl |
Product Overview
5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one (CAS 23469-38-7), with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol. IUPAC: 5-benzylsulfanyl-4-chloro-2-methylpyridazin-3-one.
Chemical Property Profile of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one
Property Insights of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one
The XLogP value of 2.726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-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 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one?
The CAS number of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one is 23469-38-7.
What is the molecular formula of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one?
The molecular formula of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one is C12H11ClN2OS.
What is the molecular weight of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one?
The molecular weight of 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one is 266.03 g/mol.
Where can I buy 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one?
You can request a quote for 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfanyl-4-chloro-2-methylpyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.