2,4,5-Trichloropyridazin-3(2H)-one
TL;DR: 2,4,5-Trichloropyridazin-3(2H)-one (CAS 89089-14-5) is a chemical compound with molecular formula C4HCl3N2O and molecular weight 197.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trichloropyridazin-3-one
Also Known As: 2,4,5-trichloropyridazin-3-one, 2,4,5-trichloro-3(2H)-pyridazinone, starbld0040048, 2,4,5-Trichloropyridazin-3(2H)-one, 2,4,5-Trichloro-3(2H)-pyridazinone,
| Molecular Formula | C4HCl3N2O |
|---|---|
| Molecular Weight | 197.92 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.91545 |
| Heavy Atoms | 10 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 89089-14-5 |
|---|---|
| SMILES | C1=NN(C(=O)C(=C1Cl)Cl)Cl |
| InChIKey | TYVNCWJMACHFGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichloropyridazin-3(2H)-one (CAS 89089-14-5), with molecular formula C4HCl3N2O and molecular weight 197.92 g/mol. IUPAC: 2,4,5-trichloropyridazin-3-one.
Chemical Property Profile of 2,4,5-Trichloropyridazin-3(2H)-one
Property Insights of 2,4,5-Trichloropyridazin-3(2H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trichloropyridazin-3(2H)-one. With a topological polar surface area (TPSA) of 32.7 Ų, 2,4,5-Trichloropyridazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichloropyridazin-3(2H)-one has 0 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 2,4,5-Trichloropyridazin-3(2H)-one?
The CAS number of 2,4,5-Trichloropyridazin-3(2H)-one is 89089-14-5.
What is the molecular formula of 2,4,5-Trichloropyridazin-3(2H)-one?
The molecular formula of 2,4,5-Trichloropyridazin-3(2H)-one is C4HCl3N2O.
What is the molecular weight of 2,4,5-Trichloropyridazin-3(2H)-one?
The molecular weight of 2,4,5-Trichloropyridazin-3(2H)-one is 197.92 g/mol.
Where can I buy 2,4,5-Trichloropyridazin-3(2H)-one?
You can request a quote for 2,4,5-Trichloropyridazin-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 2,4,5-Trichloropyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichloropyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.