Clofencet
TL;DR: Clofencet (CAS 129025-54-3) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylic acid
Also Known As: Clofencet, Genesis, Clofencet [ISO], 2-(4-chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic acid, CLOFENCET [MI]
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.0458 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0458 Da |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
| Melting Point | Melts/decomposes @ 269 °C |
| Density | 1.44 g/ml @ 20 °C |
| Vapor Pressure | less than 1.0X10-7 mm Hg @ 25 °C |
| Solubility | In organic solvents (% w/v): methanol = 1.6%; acetone = <0.05%; dichloromethane = <0.04%; toluene = <0.04%; ethyl acetate = <0.05%; n-hexane = <0.06% |
| SMILES | CCC1=C(C(=O)C=NN1C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | PIZCXVUFSNPNON-UHFFFAOYSA-N |
Chemical Property Profile of Clofencet
Property Insights of Clofencet
The XLogP value of 3.3 indicates that Clofencet is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clofencet. Following Lipinski's Rule of Five, Clofencet has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Clofencet?
The CAS number of Clofencet is 129025-54-3.
What is the molecular formula of Clofencet?
The molecular formula of Clofencet is C13H11ClN2O3.
What is the molecular weight of Clofencet?
The molecular weight of Clofencet is 278.0458 g/mol.
Where can I buy Clofencet?
You can request a quote for Clofencet directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Clofencet?
Yes, CoreyChem provides custom synthesis services for Clofencet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.