TL;DR: BW 5 (pesticide) (CAS 116397-85-4) is a chemical compound with molecular formula C14H11ClFN3O3 and molecular weight 323.0473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethyl-4-nitropyrazole
Also Known As: BW 5 (pesticide), BW 5, KST-1A9984, HK 1502, 1-[4-chloro-2-fluoro-5-(2-propyn-1-yloxy)phenyl]-3,5-dimethyl-4-nitro-1h-pyrazole
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H11ClFN3O3 |
| Molecular Weight | 323.0473 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0473 Da |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
| SMILES | CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OCC#C)C)[N+](=O)[O-] |
| InChIKey | ICQKSILUWVAZSW-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that BW 5 (pesticide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BW 5 (pesticide). Following Lipinski's Rule of Five, BW 5 (pesticide) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BW 5 (pesticide) is 116397-85-4.
The molecular formula of BW 5 (pesticide) is C14H11ClFN3O3.
The molecular weight of BW 5 (pesticide) is 323.0473 g/mol.
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