TL;DR: tosufloxacin tosilate (CAS 115967-80-1) is a chemical compound with molecular formula C26H25F3N4O7S and molecular weight 594.1396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrate
Also Known As: tosufloxacin tosilate, Tosuxacin, Tosufloxacin tosylate hydrate, Tosufloxacin tosylate, Ozex
| Molecular Formula | C26H25F3N4O7S |
| Molecular Weight | 594.1396 g/mol |
| XLogP | 2.45562 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 594.1396 Da |
| Heavy Atoms | 41 |
| Complexity | 915.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O |
| InChIKey | SSULTCPIIYRGFQ-UHFFFAOYSA-N |
The XLogP value of 2.45562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tosufloxacin tosilate. The TPSA of 164.0 Ų indicates high polarity, suggesting tosufloxacin tosilate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tosufloxacin tosilate has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of tosufloxacin tosilate is 115967-80-1.
The molecular formula of tosufloxacin tosilate is C26H25F3N4O7S.
The molecular weight of tosufloxacin tosilate is 594.1396 g/mol.
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