TL;DR: E 4695 (CAS 132832-30-5) is a chemical compound with molecular formula C16H17FN4O3 and molecular weight 332.12848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: E-4695, E 4695, 7-(3-Amino-2-methyl-1-azetidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid, (2S-trans)-7-(3-Amino-2-methyl-1-azetidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H17FN4O3 |
| Molecular Weight | 332.12848 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.12848 Da |
| Heavy Atoms | 24 |
| Complexity | 608.0 |
| SMILES | C[C@H]1[C@@H](CN1C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)N |
| InChIKey | AUJKWLGOXRSXRX-JVXZTZIISA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 4695. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for E 4695. Following Lipinski's Rule of Five, E 4695 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of E 4695 is 132832-30-5.
The molecular formula of E 4695 is C16H17FN4O3.
The molecular weight of E 4695 is 332.12848 g/mol.
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