TL;DR: YM 212 (CAS 107831-79-8) is a chemical compound with molecular formula C22H32N2O4 and molecular weight 388.2362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
Also Known As: YM 212, H-L-Val-CMK HCl, 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid, 6-(4-((5-(-1H-Imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethylhexanoic acid, Hexanoic acid, 6-(4-((5-(1H-imidazol-1-yl)pentyl)oxy)phenoxy)-2,2-dimethyl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H32N2O4 |
| Molecular Weight | 388.2362 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 388.2362 Da |
| Heavy Atoms | 28 |
| Complexity | 436.0 |
| SMILES | CC(C)(CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2)C(=O)O |
| InChIKey | RWACOJASAIEHOK-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that YM 212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for YM 212. Following Lipinski's Rule of Five, YM 212 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 YM 212 is 107831-79-8.
The molecular formula of YM 212 is C22H32N2O4.
The molecular weight of YM 212 is 388.2362 g/mol.
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