TL;DR: Ici D2138 (CAS 140841-32-3) is a chemical compound with molecular formula C23H24FNO4 and molecular weight 397.16895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
Also Known As: Ici D2138, Ici-D2138, ICI-D-2138, ZD 2138, ICI D-2138
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H24FNO4 |
| Molecular Weight | 397.16895 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.16895 Da |
| Heavy Atoms | 29 |
| Complexity | 606.0 |
| SMILES | CN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F |
| InChIKey | SLZBEPLWGGRZAY-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici D2138. With a topological polar surface area (TPSA) of 48.0 Ų, Ici D2138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ici D2138 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 Ici D2138 is 140841-32-3.
The molecular formula of Ici D2138 is C23H24FNO4.
The molecular weight of Ici D2138 is 397.16895 g/mol.
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