Carfentrazone-ethyl
TL;DR: Carfentrazone-ethyl (CAS 128639-02-1) is a chemical compound with molecular formula C15H14Cl2F3N3O3 and molecular weight 411.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
Also Known As: Carfentrazone-ethyl, Aurora, Kuaimieling, Spotlight, Spotlight 24EC
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H14Cl2F3N3O3 |
| Molecular Weight | 411.03644 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.03644 Da |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
| Melting Point | -22.1 °C |
| Boiling Point | 350-355 °C |
| Density | 1.457 g/cu cm at 20 °C |
| Vapor Pressure | 0.00000012 [mmHg] |
| Solubility | In water, 12 mg/L at 20 °C, 22 mg/L at 25 °C, and 23 mg/L at 30 °C. |
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl |
| InChIKey | MLKCGVHIFJBRCD-UHFFFAOYSA-N |
Chemical Property Profile of Carfentrazone-ethyl
Property Insights of Carfentrazone-ethyl
The XLogP value of 4.0 indicates that Carfentrazone-ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carfentrazone-ethyl. Following Lipinski's Rule of Five, Carfentrazone-ethyl has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carfentrazone-ethyl?
The CAS number of Carfentrazone-ethyl is 128639-02-1.
What is the molecular formula of Carfentrazone-ethyl?
The molecular formula of Carfentrazone-ethyl is C15H14Cl2F3N3O3.
What is the molecular weight of Carfentrazone-ethyl?
The molecular weight of Carfentrazone-ethyl is 411.03644 g/mol.
Where can I buy Carfentrazone-ethyl?
You can request a quote for Carfentrazone-ethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carfentrazone-ethyl?
Yes, CoreyChem provides custom synthesis services for Carfentrazone-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.