TL;DR: Amibegron Hydrochloride (CAS 121524-09-2) is a chemical compound with molecular formula C22H27Cl2NO4 and molecular weight 439.1317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
Also Known As: Amibegron hydrochloride, Amibegron HCl, SR 58611A hydrochloride, amibegron, SR 58611A
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H27Cl2NO4 |
| Molecular Weight | 439.1317 g/mol |
| XLogP | 3.88 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.1317 Da |
| Heavy Atoms | 29 |
| Complexity | 491.0 |
| SMILES | CCOC(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1.Cl |
| InChIKey | NQIZCDQCNYCVAS-RQBPZYBGSA-N |
The XLogP value of 3.88 indicates that Amibegron Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Amibegron Hydrochloride. Following Lipinski's Rule of Five, Amibegron Hydrochloride has 3 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 Amibegron Hydrochloride is 121524-09-2.
The molecular formula of Amibegron Hydrochloride is C22H27Cl2NO4.
The molecular weight of Amibegron Hydrochloride is 439.1317 g/mol.
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