TL;DR: Fomesafen sodium (CAS 108731-70-0) is a chemical compound with molecular formula C15H9ClF3N2NaO6S and molecular weight 459.97195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate
Also Known As: Fomesafen sodium, Fomesafen-sodium
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H9ClF3N2NaO6S |
| Molecular Weight | 459.97195 g/mol |
| XLogP | 0.13 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.97195 Da |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
| SMILES | CS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+] |
| InChIKey | CRHGSCXKJPJNAB-UHFFFAOYSA-M |
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fomesafen sodium. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fomesafen sodium. Following Lipinski's Rule of Five, Fomesafen sodium has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Fomesafen sodium is 108731-70-0.
The molecular formula of Fomesafen sodium is C15H9ClF3N2NaO6S.
The molecular weight of Fomesafen sodium is 459.97195 g/mol.
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