TL;DR: 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid (CAS 1070505-53-1) is a chemical compound with molecular formula C21H25ClN2O3 and molecular weight 388.15536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
Also Known As: Bepotastine, Betotastine, Talion, rac Bepotastine, Bepotastine besilate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H25ClN2O3 |
| Molecular Weight | 388.15536 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.15536 Da |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
| Solubility | 5.03e-02 g/L |
| SMILES | C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O |
| InChIKey | YWGDOWXRIALTES-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid has 1 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 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid is 1070505-53-1.
The molecular formula of 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid is C21H25ClN2O3.
The molecular weight of 4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic Acid is 388.15536 g/mol.
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