5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one
TL;DR: 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one (CAS 16461-34-0) is a chemical compound with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-4-chloro-2-phenylpyridazin-3-one
Also Known As: Glutaronitrile, 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one, 5-benzylsulfanyl-4-chloro-2-phenylpyridazin-3-one, 5-benzylsulfanyl-4-chloro-2-phenyl-pyridazin-3-one, 5-(benzylsulfanyl)-4-chloro-2-phenylpyridazin-3-one
| Molecular Formula | C17H13ClN2OS |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0437 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 16461-34-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl |
| InChIKey | SRBNYWJSFPWEON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one (CAS 16461-34-0), with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol. IUPAC: 5-benzylsulfanyl-4-chloro-2-phenylpyridazin-3-one.
Chemical Property Profile of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one
Property Insights of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one
The XLogP value of 4.1 indicates that 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylthio)-4-chloro-2-phenylpyridazin-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 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one?
The CAS number of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one is 16461-34-0.
What is the molecular formula of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one?
The molecular formula of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one is C17H13ClN2OS.
What is the molecular weight of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one?
The molecular weight of 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one is 328.04 g/mol.
Where can I buy 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one?
You can request a quote for 5-(benzylthio)-4-chloro-2-phenylpyridazin-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 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylthio)-4-chloro-2-phenylpyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.