3-Phenyl-6-pyridazone
TL;DR: 3-Phenyl-6-pyridazone (CAS 2166-31-6) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1H-pyridazin-6-one
Also Known As: 6-Phenylpyridazin-3(2H)-one, 6-Phenyl-3(2H)-pyridazinone, 6-phenylpyridazin-3-ol, 6-Phenyl-2H-pyridazin-3-one, 3-Phenyl-6-pyridazone
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 2166-31-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)C=C2 |
| InChIKey | IJUIPRDMWWBTTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-6-pyridazone (CAS 2166-31-6), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 3-phenyl-1H-pyridazin-6-one.
Chemical Property Profile of 3-Phenyl-6-pyridazone
Property Insights of 3-Phenyl-6-pyridazone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-6-pyridazone. With a topological polar surface area (TPSA) of 41.5 Ų, 3-Phenyl-6-pyridazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-6-pyridazone has 1 hydrogen bond donor(s) and 2 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 3-Phenyl-6-pyridazone?
The CAS number of 3-Phenyl-6-pyridazone is 2166-31-6.
What is the molecular formula of 3-Phenyl-6-pyridazone?
The molecular formula of 3-Phenyl-6-pyridazone is C10H8N2O.
What is the molecular weight of 3-Phenyl-6-pyridazone?
The molecular weight of 3-Phenyl-6-pyridazone is 172.06 g/mol.
Where can I buy 3-Phenyl-6-pyridazone?
You can request a quote for 3-Phenyl-6-pyridazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-6-pyridazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-6-pyridazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.